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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/uri-0d6d7070/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/uri-0d6d7070/inputs/seq.fa: 1
curr_seq: _cccaguggugcugugaaaacccuuuug_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: cccaguggugcugugaaaacccuuuug
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -103.569030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.569030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.569030 (E_RNA)
where:
Base-Base interactions energy: -3.232
where: short stacking energy: -3.232
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -185.476455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476455 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.181
local terms energy: -72.064659
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -155.373300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.373300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.373300 (E_RNA)
where:
Base-Base interactions energy: -67.254
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.090
local terms energy: -88.029296
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -150.544455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.544455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.544455 (E_RNA)
where:
Base-Base interactions energy: -73.475
where: short stacking energy: -48.083
Base-Backbone interact. energy: -0.078
local terms energy: -76.991111
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -4.333
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: 2
Temperature: 1.050000
Total energy: -145.699162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.699162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.699162 (E_RNA)
where:
Base-Base interactions energy: -69.277
where: short stacking energy: -41.807
Base-Backbone interact. energy: -0.204
local terms energy: -76.217835
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.383681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.383681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.383681 (E_RNA)
where:
Base-Base interactions energy: -60.900
where: short stacking energy: -38.336
Base-Backbone interact. energy: -0.525
local terms energy: -60.958118
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -127.978714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.978714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.978714 (E_RNA)
where:
Base-Base interactions energy: -51.065
where: short stacking energy: -51.065
Base-Backbone interact. energy: 1.233
local terms energy: -78.146639
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -107.260578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.260578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.260578 (E_RNA)
where:
Base-Base interactions energy: -48.341
where: short stacking energy: -34.134
Base-Backbone interact. energy: -1.521
local terms energy: -57.398807
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -111.815177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.815177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.815177 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -31.255
Base-Backbone interact. energy: 1.065
local terms energy: -58.046549
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -102.536713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.536713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.536713 (E_RNA)
where:
Base-Base interactions energy: -2.814
where: short stacking energy: -2.814
Base-Backbone interact. energy: -0.000
local terms energy: -99.722468
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -102.476690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.476690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.476690 (E_RNA)
where:
Base-Base interactions energy: -2.802
where: short stacking energy: -2.802
Base-Backbone interact. energy: -0.000
local terms energy: -99.675026
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.918961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.918961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.918961 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.456
local terms energy: -89.729559
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -16.603
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: 3
Temperature: 0.950000
Total energy: -194.636354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.636354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.636354 (E_RNA)
where:
Base-Base interactions energy: -133.096
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.234
local terms energy: -61.306784
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -183.192387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.192387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.192387 (E_RNA)
where:
Base-Base interactions energy: -106.496
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.146
local terms energy: -76.550291
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -142.078291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.078291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.078291 (E_RNA)
where:
Base-Base interactions energy: -74.025
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.214
local terms energy: -67.839417
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -168.967243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.967243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.967243 (E_RNA)
where:
Base-Base interactions energy: -93.562
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.021
local terms energy: -75.384009
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -136.272757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.272757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.272757 (E_RNA)
where:
Base-Base interactions energy: -73.163
where: short stacking energy: -48.601
Base-Backbone interact. energy: -0.054
local terms energy: -63.056272
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -1.507
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -124.647473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.647473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.647473 (E_RNA)
where:
Base-Base interactions energy: -50.923
where: short stacking energy: -50.923
Base-Backbone interact. energy: 1.222
local terms energy: -74.947058
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -114.061808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.061808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.061808 (E_RNA)
where:
Base-Base interactions energy: -61.965
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.391
local terms energy: -51.705696
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -113.654549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.654549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.654549 (E_RNA)
where:
Base-Base interactions energy: -54.398
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.723
local terms energy: -58.532827
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -90.240977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240977 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -16.881
Base-Backbone interact. energy: -1.228
local terms energy: -48.215264
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -4.945
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -232.256892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.256892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.256892 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.143
local terms energy: -88.409003
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -191.338993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338993 (E_RNA)
where:
Base-Base interactions energy: -115.012
where: short stacking energy: -48.672
Base-Backbone interact. energy: -0.234
local terms energy: -76.092844
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -179.610924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.610924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.610924 (E_RNA)
where:
Base-Base interactions energy: -98.183
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.260
local terms energy: -81.167633
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -134.910240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.910240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.910240 (E_RNA)
where:
Base-Base interactions energy: -54.557
where: short stacking energy: -54.557
Base-Backbone interact. energy: -0.099
local terms energy: -80.254657
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -182.649629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.649629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.649629 (E_RNA)
where:
Base-Base interactions energy: -105.234
where: short stacking energy: -59.725
Base-Backbone interact. energy: 0.128
local terms energy: -77.544096
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -130.416158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.416158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.416158 (E_RNA)
where:
Base-Base interactions energy: -53.778
where: short stacking energy: -49.293
Base-Backbone interact. energy: -0.157
local terms energy: -76.481805
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -147.864950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.864950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.864950 (E_RNA)
where:
Base-Base interactions energy: -68.985
where: short stacking energy: -40.665
Base-Backbone interact. energy: -1.981
local terms energy: -76.899401
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -10.790
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -131.876951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.876951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.876951 (E_RNA)
where:
Base-Base interactions energy: -67.468
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.221
local terms energy: -64.188031
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -8.551
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -89.713787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713787 (E_RNA)
where:
Base-Base interactions energy: -22.102
where: short stacking energy: -16.948
Base-Backbone interact. energy: -0.923
local terms energy: -66.688984
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -106.917196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.917196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.917196 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -42.231
Base-Backbone interact. energy: -0.356
local terms energy: -61.399284
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -9.174
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -242.840413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.840413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.840413 (E_RNA)
where:
Base-Base interactions energy: -162.272
where: short stacking energy: -68.604
Base-Backbone interact. energy: 0.155
local terms energy: -80.723390
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.564250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.564250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.564250 (E_RNA)
where:
Base-Base interactions energy: -118.173
where: short stacking energy: -66.536
Base-Backbone interact. energy: -0.494
local terms energy: -76.897395
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -175.757475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.757475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.757475 (E_RNA)
where:
Base-Base interactions energy: -95.197
where: short stacking energy: -51.972
Base-Backbone interact. energy: -1.534
local terms energy: -79.026137
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -6.444
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -193.118457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.118457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.118457 (E_RNA)
where:
Base-Base interactions energy: -123.587
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.415
local terms energy: -69.117231
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.105
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -136.492330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.492330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.492330 (E_RNA)
where:
Base-Base interactions energy: -54.925
where: short stacking energy: -46.961
Base-Backbone interact. energy: -0.071
local terms energy: -81.496639
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -151.664225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.664225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.664225 (E_RNA)
where:
Base-Base interactions energy: -78.311
where: short stacking energy: -48.738
Base-Backbone interact. energy: 0.088
local terms energy: -73.440779
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -112.795993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.795993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.795993 (E_RNA)
where:
Base-Base interactions energy: -48.493
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.202
local terms energy: -64.100704
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -133.910750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.910750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.910750 (E_RNA)
where:
Base-Base interactions energy: -78.749
where: short stacking energy: -42.522
Base-Backbone interact. energy: 0.401
local terms energy: -55.562370
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -118.419591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.419591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.419591 (E_RNA)
where:
Base-Base interactions energy: -54.051
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.046
local terms energy: -64.323151
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -94.013713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.013713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.013713 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -37.507
Base-Backbone interact. energy: -0.151
local terms energy: -49.938195
where:
bonds (distance) C4'-P energy: -6.954
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -2.832
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -236.401604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.401604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.401604 (E_RNA)
where:
Base-Base interactions energy: -136.622
where: short stacking energy: -75.333
Base-Backbone interact. energy: -0.261
local terms energy: -99.518547
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -185.936885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.936885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.936885 (E_RNA)
where:
Base-Base interactions energy: -101.954
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.203
local terms energy: -83.780584
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -219.989612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989612 (E_RNA)
where:
Base-Base interactions energy: -138.486
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.050
local terms energy: -81.454373
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -166.155431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.155431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.155431 (E_RNA)
where:
Base-Base interactions energy: -91.502
where: short stacking energy: -53.571
Base-Backbone interact. energy: 0.080
local terms energy: -74.734032
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -158.316345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.316345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.316345 (E_RNA)
where:
Base-Base interactions energy: -75.687
where: short stacking energy: -47.734
Base-Backbone interact. energy: 1.432
local terms energy: -84.061286
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -130.967440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.967440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.967440 (E_RNA)
where:
Base-Base interactions energy: -83.339
where: short stacking energy: -36.149
Base-Backbone interact. energy: -0.555
local terms energy: -47.073898
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -8.466
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -112.481580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.481580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.481580 (E_RNA)
where:
Base-Base interactions energy: -54.714
where: short stacking energy: -19.985
Base-Backbone interact. energy: 0.770
local terms energy: -58.537604
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: 3.188
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -123.526676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.526676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.526676 (E_RNA)
where:
Base-Base interactions energy: -58.792
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.006
local terms energy: -64.728194
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -125.359862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.359862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.359862 (E_RNA)
where:
Base-Base interactions energy: -67.629
where: short stacking energy: -39.346
Base-Backbone interact. energy: -0.167
local terms energy: -57.563767
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -91.950358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.950358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.950358 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.267
local terms energy: -59.236091
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: 0.877
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: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -228.796512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.796512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.796512 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.182
local terms energy: -82.215237
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -232.749261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.749261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.749261 (E_RNA)
where:
Base-Base interactions energy: -146.364
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.391
local terms energy: -85.993912
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -262.285575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.285575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.285575 (E_RNA)
where:
Base-Base interactions energy: -178.132
where: short stacking energy: -64.023
Base-Backbone interact. energy: -0.077
local terms energy: -84.076945
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -18.436
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: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -180.304820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.304820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.304820 (E_RNA)
where:
Base-Base interactions energy: -97.048
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.874
local terms energy: -82.383384
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -153.779777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.779777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.779777 (E_RNA)
where:
Base-Base interactions energy: -81.660
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.773
local terms energy: -71.347057
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -2.299
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: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -138.806968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.806968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.806968 (E_RNA)
where:
Base-Base interactions energy: -74.280
where: short stacking energy: -45.439
Base-Backbone interact. energy: -1.600
local terms energy: -62.926218
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -3.777
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: 7
Temperature: 1.200000
Total energy: -119.107864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.107864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.107864 (E_RNA)
where:
Base-Base interactions energy: -48.295
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.208
local terms energy: -70.604912
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -4.031
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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -125.220358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.220358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.220358 (E_RNA)
where:
Base-Base interactions energy: -55.181
where: short stacking energy: -39.018
Base-Backbone interact. energy: -0.750
local terms energy: -69.288688
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -97.766283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766283 (E_RNA)
where:
Base-Base interactions energy: -38.385
where: short stacking energy: -34.438
Base-Backbone interact. energy: 0.573
local terms energy: -59.954509
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -3.425
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -89.205511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.205511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.205511 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -12.215
Base-Backbone interact. energy: -0.686
local terms energy: -57.531727
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -232.908987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.908987 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.107
local terms energy: -82.488197
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -222.535122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.535122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.535122 (E_RNA)
where:
Base-Base interactions energy: -141.266
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.602
local terms energy: -80.667023
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -16.317
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -275.822494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.822494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.822494 (E_RNA)
where:
Base-Base interactions energy: -190.148
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.010
local terms energy: -85.664445
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -188.294989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.294989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.294989 (E_RNA)
where:
Base-Base interactions energy: -116.027
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.677
local terms energy: -71.591240
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -157.308866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.308866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.308866 (E_RNA)
where:
Base-Base interactions energy: -96.521
where: short stacking energy: -50.447
Base-Backbone interact. energy: 0.623
local terms energy: -61.411528
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -173.563511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.563511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.563511 (E_RNA)
where:
Base-Base interactions energy: -98.173
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.201
local terms energy: -75.189231
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -13.151
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: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -124.581561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.581561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.581561 (E_RNA)
where:
Base-Base interactions energy: -50.868
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.131
local terms energy: -73.583265
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -117.931176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.931176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.931176 (E_RNA)
where:
Base-Base interactions energy: -54.588
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.614
local terms energy: -62.728899
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -90.810432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.810432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.810432 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.152
local terms energy: -59.515072
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: 2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -125.939452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.939452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.939452 (E_RNA)
where:
Base-Base interactions energy: -66.572
where: short stacking energy: -26.577
Base-Backbone interact. energy: 0.365
local terms energy: -59.731778
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -237.553867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.553867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.553867 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -76.084
Base-Backbone interact. energy: -0.032
local terms energy: -88.633887
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -283.348351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.348351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.348351 (E_RNA)
where:
Base-Base interactions energy: -193.904
where: short stacking energy: -86.055
Base-Backbone interact. energy: -0.126
local terms energy: -89.318621
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -23.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -211.577556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577556 (E_RNA)
where:
Base-Base interactions energy: -133.719
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.514
local terms energy: -77.344697
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -183.784430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.784430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.784430 (E_RNA)
where:
Base-Base interactions energy: -104.943
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.023
local terms energy: -78.818068
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -172.220972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.220972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.220972 (E_RNA)
where:
Base-Base interactions energy: -103.453
where: short stacking energy: -40.999
Base-Backbone interact. energy: 3.914
local terms energy: -72.681989
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -159.470763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.470763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.470763 (E_RNA)
where:
Base-Base interactions energy: -88.038
where: short stacking energy: -49.561
Base-Backbone interact. energy: -2.710
local terms energy: -68.722900
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -122.402888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.402888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.402888 (E_RNA)
where:
Base-Base interactions energy: -52.678
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.098
local terms energy: -69.627803
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -13.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -95.980424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980424 (E_RNA)
where:
Base-Base interactions energy: -41.194
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.317
local terms energy: -54.469867
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -144.830448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.830448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.830448 (E_RNA)
where:
Base-Base interactions energy: -85.352
where: short stacking energy: -37.818
Base-Backbone interact. energy: -1.154
local terms energy: -58.324159
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.749
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: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -125.169192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.169192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.169192 (E_RNA)
where:
Base-Base interactions energy: -64.538
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.093
local terms energy: -60.538372
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -281.895439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.895439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.895439 (E_RNA)
where:
Base-Base interactions energy: -183.407
where: short stacking energy: -80.519
Base-Backbone interact. energy: -0.063
local terms energy: -98.425471
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -20.123
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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -237.290582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.290582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.290582 (E_RNA)
where:
Base-Base interactions energy: -147.561
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.106
local terms energy: -89.622923
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -207.085364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.085364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.085364 (E_RNA)
where:
Base-Base interactions energy: -129.179
where: short stacking energy: -60.507
Base-Backbone interact. energy: -0.212
local terms energy: -77.694567
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -152.252306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.252306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.252306 (E_RNA)
where:
Base-Base interactions energy: -86.081
where: short stacking energy: -42.049
Base-Backbone interact. energy: 0.488
local terms energy: -66.658791
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -151.114836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.114836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.114836 (E_RNA)
where:
Base-Base interactions energy: -82.454
where: short stacking energy: -42.659
Base-Backbone interact. energy: 0.162
local terms energy: -68.822922
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -222.575379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.575379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.575379 (E_RNA)
where:
Base-Base interactions energy: -138.678
where: short stacking energy: -56.588
Base-Backbone interact. energy: -0.600
local terms energy: -83.297873
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -114.603726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.603726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.603726 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -39.087
Base-Backbone interact. energy: -0.143
local terms energy: -73.402604
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -6.108
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: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -173.808763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.808763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.808763 (E_RNA)
where:
Base-Base interactions energy: -114.820
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.923
local terms energy: -58.065727
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -137.484570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.484570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.484570 (E_RNA)
where:
Base-Base interactions energy: -80.324
where: short stacking energy: -22.951
Base-Backbone interact. energy: -1.147
local terms energy: -56.013581
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -95.823886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.823886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.823886 (E_RNA)
where:
Base-Base interactions energy: -45.410
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.351
local terms energy: -50.063175
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -278.574739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.574739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574739 (E_RNA)
where:
Base-Base interactions energy: -188.217
where: short stacking energy: -86.490
Base-Backbone interact. energy: -0.384
local terms energy: -89.973293
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -16.768
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: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -242.221146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.221146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.221146 (E_RNA)
where:
Base-Base interactions energy: -151.558
where: short stacking energy: -71.543
Base-Backbone interact. energy: -0.624
local terms energy: -90.039147
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -13.289
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -232.687087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687087 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.162
local terms energy: -83.292704
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -178.795035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.795035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.795035 (E_RNA)
where:
Base-Base interactions energy: -102.767
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.310
local terms energy: -75.718328
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -13.185
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -214.615415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.615415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.615415 (E_RNA)
where:
Base-Base interactions energy: -130.168
where: short stacking energy: -64.051
Base-Backbone interact. energy: -2.090
local terms energy: -82.357327
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -207.372559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.372559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.372559 (E_RNA)
where:
Base-Base interactions energy: -131.188
where: short stacking energy: -50.760
Base-Backbone interact. energy: -1.642
local terms energy: -74.542616
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -122.505171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.505171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.505171 (E_RNA)
where:
Base-Base interactions energy: -58.327
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.010
local terms energy: -64.167875
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -9.427
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: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -164.431239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.431239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.431239 (E_RNA)
where:
Base-Base interactions energy: -103.426
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.578
local terms energy: -60.427735
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -93.678724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.678724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.678724 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -23.034
Base-Backbone interact. energy: -0.135
local terms energy: -55.989333
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -85.144866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144866 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -17.899
Base-Backbone interact. energy: -0.303
local terms energy: -55.814576
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -292.521813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.521813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.521813 (E_RNA)
where:
Base-Base interactions energy: -195.049
where: short stacking energy: -85.866
Base-Backbone interact. energy: -1.021
local terms energy: -96.452187
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -21.342
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: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -247.929378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.929378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.929378 (E_RNA)
where:
Base-Base interactions energy: -157.385
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.110
local terms energy: -90.435022
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -225.170670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.170670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.170670 (E_RNA)
where:
Base-Base interactions energy: -145.993
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.154
local terms energy: -79.022897
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -190.572763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.572763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.572763 (E_RNA)
where:
Base-Base interactions energy: -111.566
where: short stacking energy: -51.912
Base-Backbone interact. energy: -1.954
local terms energy: -77.053174
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -216.082815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.082815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.082815 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -56.250
Base-Backbone interact. energy: -0.149
local terms energy: -83.412109
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -190.257123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.257123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.257123 (E_RNA)
where:
Base-Base interactions energy: -118.350
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.063
local terms energy: -71.844521
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -198.634311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.634311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.634311 (E_RNA)
where:
Base-Base interactions energy: -129.967
where: short stacking energy: -43.155
Base-Backbone interact. energy: -0.098
local terms energy: -68.569048
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -8.213
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -99.891326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891326 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.054
local terms energy: -70.461578
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -89.824910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.824910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.824910 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -10.979
Base-Backbone interact. energy: -1.111
local terms energy: -59.710223
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -90.414403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414403 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.449
local terms energy: -55.766607
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -294.083346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.083346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.083346 (E_RNA)
where:
Base-Base interactions energy: -197.137
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.042
local terms energy: -96.904607
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -21.765
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -218.976480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976480 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.284
local terms energy: -79.678972
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -12.431
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: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -221.850767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.850767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.850767 (E_RNA)
where:
Base-Base interactions energy: -140.945
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.153
local terms energy: -80.752532
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -17.300
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -240.563696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.563696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.563696 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.254
local terms energy: -74.641424
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -4.184
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: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -142.713830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.713830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.713830 (E_RNA)
where:
Base-Base interactions energy: -68.808
where: short stacking energy: -37.783
Base-Backbone interact. energy: 0.941
local terms energy: -74.847134
where:
bonds (distance) C4'-P energy: -21.546
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -5.275
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: 13
Temperature: 1.150000
Total energy: -203.014776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.014776 (E_RNA)
where:
Base-Base interactions energy: -128.314
where: short stacking energy: -42.797
Base-Backbone interact. energy: -1.256
local terms energy: -73.445320
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -169.091500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.091500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.091500 (E_RNA)
where:
Base-Base interactions energy: -101.768
where: short stacking energy: -52.878
Base-Backbone interact. energy: -0.221
local terms energy: -67.102761
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -13.918
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -135.644798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.644798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.644798 (E_RNA)
where:
Base-Base interactions energy: -75.464
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.294
local terms energy: -59.887518
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -101.822607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.822607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.822607 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.042
local terms energy: -65.076127
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -0.391
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -93.075413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.075413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.075413 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.114
local terms energy: -57.497462
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -288.184613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.184613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.184613 (E_RNA)
where:
Base-Base interactions energy: -191.704
where: short stacking energy: -82.851
Base-Backbone interact. energy: -0.092
local terms energy: -96.388159
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -224.085353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.085353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.085353 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -63.226
Base-Backbone interact. energy: -0.227
local terms energy: -78.534846
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -244.366681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.366681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.366681 (E_RNA)
where:
Base-Base interactions energy: -157.838
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.564
local terms energy: -85.964682
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -189.810553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.810553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.810553 (E_RNA)
where:
Base-Base interactions energy: -102.066
where: short stacking energy: -62.457
Base-Backbone interact. energy: -1.101
local terms energy: -86.643754
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -210.711914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.711914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.711914 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.818
local terms energy: -73.710261
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -13.903
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: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -167.931702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.931702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.931702 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -50.638
Base-Backbone interact. energy: -1.036
local terms energy: -69.611860
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -165.431284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.431284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.431284 (E_RNA)
where:
Base-Base interactions energy: -93.339
where: short stacking energy: -48.731
Base-Backbone interact. energy: -0.241
local terms energy: -71.851199
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -94.952917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952917 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -25.603
Base-Backbone interact. energy: -0.324
local terms energy: -53.607222
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -2.304
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -119.706350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.706350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.706350 (E_RNA)
where:
Base-Base interactions energy: -52.785
where: short stacking energy: -40.652
Base-Backbone interact. energy: -0.074
local terms energy: -66.847211
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -12.958
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -100.549133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.549133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.549133 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.101
local terms energy: -64.713478
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -286.234833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.234833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.234833 (E_RNA)
where:
Base-Base interactions energy: -188.741
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.942
local terms energy: -96.551987
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -24.711
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: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -249.787843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.787843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.787843 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -77.961
Base-Backbone interact. energy: -1.071
local terms energy: -95.526818
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -22.072
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -216.965555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.965555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.965555 (E_RNA)
where:
Base-Base interactions energy: -127.963
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.510
local terms energy: -88.492660
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -229.831125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831125 (E_RNA)
where:
Base-Base interactions energy: -154.204
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.196
local terms energy: -75.430737
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.903
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: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -169.247553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.247553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.247553 (E_RNA)
where:
Base-Base interactions energy: -102.111
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.166
local terms energy: -66.970639
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -159.516758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.516758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.516758 (E_RNA)
where:
Base-Base interactions energy: -87.095
where: short stacking energy: -43.441
Base-Backbone interact. energy: -0.556
local terms energy: -71.865777
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -165.099753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.099753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.099753 (E_RNA)
where:
Base-Base interactions energy: -98.481
where: short stacking energy: -50.749
Base-Backbone interact. energy: 2.156
local terms energy: -68.774671
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -103.343486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.343486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.343486 (E_RNA)
where:
Base-Base interactions energy: -50.653
where: short stacking energy: -21.451
Base-Backbone interact. energy: -0.249
local terms energy: -52.442081
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -120.588989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.588989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.588989 (E_RNA)
where:
Base-Base interactions energy: -71.296
where: short stacking energy: -43.525
Base-Backbone interact. energy: 0.418
local terms energy: -49.710406
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -89.460343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.460343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.460343 (E_RNA)
where:
Base-Base interactions energy: -33.761
where: short stacking energy: -22.979
Base-Backbone interact. energy: -0.164
local terms energy: -55.536035
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -288.007437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.007437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.007437 (E_RNA)
where:
Base-Base interactions energy: -193.956
where: short stacking energy: -86.193
Base-Backbone interact. energy: -0.320
local terms energy: -93.730876
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -22.638
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -265.108790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.108790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.108790 (E_RNA)
where:
Base-Base interactions energy: -179.082
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.379
local terms energy: -85.647700
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -14.019
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: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -229.162265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.162265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.162265 (E_RNA)
where:
Base-Base interactions energy: -150.752
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.194
local terms energy: -78.215884
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -204.036326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.036326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.036326 (E_RNA)
where:
Base-Base interactions energy: -120.203
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.165
local terms energy: -83.668382
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -182.110640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.110640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.110640 (E_RNA)
where:
Base-Base interactions energy: -108.055
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.291
local terms energy: -73.764883
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -11.064
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -166.011180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.011180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.011180 (E_RNA)
where:
Base-Base interactions energy: -93.889
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.094
local terms energy: -72.028144
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -17.737
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: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -166.592257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.592257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.592257 (E_RNA)
where:
Base-Base interactions energy: -98.345
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.079
local terms energy: -68.168355
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -13.595
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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -147.075333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.075333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.075333 (E_RNA)
where:
Base-Base interactions energy: -81.779
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.325
local terms energy: -64.971264
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -8.409
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -111.712000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712000 (E_RNA)
where:
Base-Base interactions energy: -57.123
where: short stacking energy: -42.916
Base-Backbone interact. energy: 1.826
local terms energy: -56.415430
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -2.696
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -88.843662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843662 (E_RNA)
where:
Base-Base interactions energy: -41.933
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.372
local terms energy: -46.538162
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -292.764296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.764296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.764296 (E_RNA)
where:
Base-Base interactions energy: -196.778
where: short stacking energy: -84.983
Base-Backbone interact. energy: -0.118
local terms energy: -95.867636
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -270.779224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.779224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.779224 (E_RNA)
where:
Base-Base interactions energy: -182.068
where: short stacking energy: -71.038
Base-Backbone interact. energy: -2.410
local terms energy: -86.301147
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -218.145568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.145568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.145568 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.173
local terms energy: -82.867964
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -14.624
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: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -211.574708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.574708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.574708 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -66.214
Base-Backbone interact. energy: -0.060
local terms energy: -75.253334
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -191.360192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.360192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.360192 (E_RNA)
where:
Base-Base interactions energy: -120.693
where: short stacking energy: -50.522
Base-Backbone interact. energy: -1.070
local terms energy: -69.597150
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -9.954
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: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -119.823229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.823229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.823229 (E_RNA)
where:
Base-Base interactions energy: -49.155
where: short stacking energy: -44.261
Base-Backbone interact. energy: 0.658
local terms energy: -71.325676
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -2.728
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: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -162.572416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.572416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.572416 (E_RNA)
where:
Base-Base interactions energy: -93.013
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.037
local terms energy: -69.522918
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -8.417
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: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -99.193421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.193421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.193421 (E_RNA)
where:
Base-Base interactions energy: -39.596
where: short stacking energy: -39.596
Base-Backbone interact. energy: -0.077
local terms energy: -59.519947
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -132.701224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.701224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.701224 (E_RNA)
where:
Base-Base interactions energy: -78.377
where: short stacking energy: -35.461
Base-Backbone interact. energy: -0.492
local terms energy: -53.831730
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: 1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -90.737300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737300 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -28.280
Base-Backbone interact. energy: 1.813
local terms energy: -58.159709
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -275.985861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.985861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.985861 (E_RNA)
where:
Base-Base interactions energy: -188.023
where: short stacking energy: -77.987
Base-Backbone interact. energy: -1.129
local terms energy: -86.833918
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.547
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: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -284.978827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.978827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.978827 (E_RNA)
where:
Base-Base interactions energy: -189.869
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.046
local terms energy: -95.064274
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -235.213998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.213998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.213998 (E_RNA)
where:
Base-Base interactions energy: -153.113
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.105
local terms energy: -81.996230
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -16.506
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: 18
Temperature: 1.050000
Total energy: -202.461794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.461794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.461794 (E_RNA)
where:
Base-Base interactions energy: -119.171
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.092
local terms energy: -83.199094
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -232.034977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.034977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.034977 (E_RNA)
where:
Base-Base interactions energy: -155.301
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.734
local terms energy: -76.000166
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -122.026622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.026622 (E_RNA)
where:
Base-Base interactions energy: -51.875
where: short stacking energy: -41.228
Base-Backbone interact. energy: 1.269
local terms energy: -71.420438
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -104.764214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764214 (E_RNA)
where:
Base-Base interactions energy: -38.442
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.149
local terms energy: -66.172564
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -147.286557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.286557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.286557 (E_RNA)
where:
Base-Base interactions energy: -96.414
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.091
local terms energy: -50.781515
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -8.039
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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -101.691238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.691238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.691238 (E_RNA)
where:
Base-Base interactions energy: -46.544
where: short stacking energy: -44.495
Base-Backbone interact. energy: 0.310
local terms energy: -55.457368
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -2.306
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -109.600895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.600895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.600895 (E_RNA)
where:
Base-Base interactions energy: -47.827
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.604
local terms energy: -61.169507
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -277.408006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.408006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.408006 (E_RNA)
where:
Base-Base interactions energy: -176.475
where: short stacking energy: -74.348
Base-Backbone interact. energy: -0.633
local terms energy: -100.300024
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -24.984
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: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -287.296862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.296862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.296862 (E_RNA)
where:
Base-Base interactions energy: -197.037
where: short stacking energy: -86.090
Base-Backbone interact. energy: -0.758
local terms energy: -89.501988
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -245.201105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.201105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.201105 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.967
local terms energy: -87.380461
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -223.036690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036690 (E_RNA)
where:
Base-Base interactions energy: -146.403
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.043
local terms energy: -76.590147
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -12.142
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: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -193.178039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.178039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.178039 (E_RNA)
where:
Base-Base interactions energy: -130.191
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.114
local terms energy: -62.873908
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -1.323
tors. eta vs tors. theta energy: -13.562
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: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -162.047979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.047979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.047979 (E_RNA)
where:
Base-Base interactions energy: -89.114
where: short stacking energy: -38.797
Base-Backbone interact. energy: -0.967
local terms energy: -71.967051
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -107.992184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.992184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.992184 (E_RNA)
where:
Base-Base interactions energy: -52.319
where: short stacking energy: -34.039
Base-Backbone interact. energy: -1.052
local terms energy: -54.621453
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: 4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -146.121127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.121127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.121127 (E_RNA)
where:
Base-Base interactions energy: -86.683
where: short stacking energy: -40.740
Base-Backbone interact. energy: -0.370
local terms energy: -59.067959
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -154.868818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.868818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.868818 (E_RNA)
where:
Base-Base interactions energy: -98.727
where: short stacking energy: -42.973
Base-Backbone interact. energy: -0.116
local terms energy: -56.025332
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -100.913798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.913798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.913798 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -29.106
Base-Backbone interact. energy: -0.127
local terms energy: -61.365539
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -293.589428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.589428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.589428 (E_RNA)
where:
Base-Base interactions energy: -193.955
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.285
local terms energy: -99.349579
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -26.307
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -261.591883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.591883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.591883 (E_RNA)
where:
Base-Base interactions energy: -172.194
where: short stacking energy: -59.069
Base-Backbone interact. energy: -1.213
local terms energy: -88.185169
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -243.674909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.674909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.674909 (E_RNA)
where:
Base-Base interactions energy: -159.911
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.435
local terms energy: -83.329801
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -14.118
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: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -249.641009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.641009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.641009 (E_RNA)
where:
Base-Base interactions energy: -162.567
where: short stacking energy: -78.438
Base-Backbone interact. energy: -0.156
local terms energy: -86.918111
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -22.377
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: 20
Temperature: 1.100000
Total energy: -201.710077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.710077 (E_RNA)
where:
Base-Base interactions energy: -125.186
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.178
local terms energy: -76.345770
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -176.620258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.620258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.620258 (E_RNA)
where:
Base-Base interactions energy: -104.416
where: short stacking energy: -46.914
Base-Backbone interact. energy: -0.247
local terms energy: -71.957913
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -147.883323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.883323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.883323 (E_RNA)
where:
Base-Base interactions energy: -72.405
where: short stacking energy: -46.978
Base-Backbone interact. energy: -1.702
local terms energy: -73.776824
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -6.615
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: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -108.926318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.926318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.926318 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -43.155
Base-Backbone interact. energy: 2.170
local terms energy: -66.834110
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -9.852
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: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -163.480411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.480411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.480411 (E_RNA)
where:
Base-Base interactions energy: -95.437
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.184
local terms energy: -67.858670
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.004238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.004238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.004238 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -30.938
Base-Backbone interact. energy: -1.419
local terms energy: -65.647661
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -291.865628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.865628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.865628 (E_RNA)
where:
Base-Base interactions energy: -196.261
where: short stacking energy: -80.379
Base-Backbone interact. energy: -0.123
local terms energy: -95.480957
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -251.668185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.668185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.668185 (E_RNA)
where:
Base-Base interactions energy: -166.941
where: short stacking energy: -65.539
Base-Backbone interact. energy: -1.468
local terms energy: -83.258956
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -17.918
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: 21
Temperature: 1.000000
Total energy: -241.207820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.207820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.207820 (E_RNA)
where:
Base-Base interactions energy: -162.189
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.170
local terms energy: -78.849031
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -218.459254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.459254 (E_RNA)
where:
Base-Base interactions energy: -137.434
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.705
local terms energy: -80.319827
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -205.400952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400952 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.041
local terms energy: -77.009713
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -182.398039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.398039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.398039 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -59.855
Base-Backbone interact. energy: 2.017
local terms energy: -75.124920
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -13.587
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: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -121.359766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.359766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.359766 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.742
local terms energy: -77.303187
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -184.098867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.098867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.098867 (E_RNA)
where:
Base-Base interactions energy: -103.359
where: short stacking energy: -51.350
Base-Backbone interact. energy: -1.528
local terms energy: -79.211669
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -92.688204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.688204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.688204 (E_RNA)
where:
Base-Base interactions energy: -42.264
where: short stacking energy: -19.666
Base-Backbone interact. energy: -0.203
local terms energy: -50.221609
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: 4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -87.565123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.565123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.565123 (E_RNA)
where:
Base-Base interactions energy: -28.869
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.960
local terms energy: -57.735396
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -295.587333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.587333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.587333 (E_RNA)
where:
Base-Base interactions energy: -197.486
where: short stacking energy: -80.585
Base-Backbone interact. energy: -0.046
local terms energy: -98.055350
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -264.843669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.843669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.843669 (E_RNA)
where:
Base-Base interactions energy: -183.262
where: short stacking energy: -77.801
Base-Backbone interact. energy: 0.001
local terms energy: -81.583205
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -15.214
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: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -248.595753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.595753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.595753 (E_RNA)
where:
Base-Base interactions energy: -170.111
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.988
local terms energy: -77.496866
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -15.254
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: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -233.669710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.669710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.669710 (E_RNA)
where:
Base-Base interactions energy: -155.062
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.083
local terms energy: -78.524927
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -223.343213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.343213 (E_RNA)
where:
Base-Base interactions energy: -130.745
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.919
local terms energy: -91.679549
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -21.772
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: 22
Temperature: 1.150000
Total energy: -178.616307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.616307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.616307 (E_RNA)
where:
Base-Base interactions energy: -112.286
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.249
local terms energy: -66.081542
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -156.336678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.336678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336678 (E_RNA)
where:
Base-Base interactions energy: -89.258
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.337
local terms energy: -66.741544
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -108.195388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.195388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.195388 (E_RNA)
where:
Base-Base interactions energy: -54.012
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.806
local terms energy: -53.377243
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -109.898377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.898377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.898377 (E_RNA)
where:
Base-Base interactions energy: -54.617
where: short stacking energy: -40.642
Base-Backbone interact. energy: -0.164
local terms energy: -55.116691
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -105.620417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.620417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.620417 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -33.490
Base-Backbone interact. energy: 0.074
local terms energy: -61.055637
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -288.395893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.395893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.395893 (E_RNA)
where:
Base-Base interactions energy: -200.188
where: short stacking energy: -85.300
Base-Backbone interact. energy: 0.125
local terms energy: -88.333421
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -11.502
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: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -253.672541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.672541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.672541 (E_RNA)
where:
Base-Base interactions energy: -168.336
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.074
local terms energy: -85.263112
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -251.734536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.734536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.734536 (E_RNA)
where:
Base-Base interactions energy: -171.309
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.291
local terms energy: -80.134678
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -234.300233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.300233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.300233 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.102
local terms energy: -87.394801
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -16.590
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: 23
Temperature: 1.100000
Total energy: -214.030300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.030300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.030300 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.239
local terms energy: -75.297408
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -217.619171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.619171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.619171 (E_RNA)
where:
Base-Base interactions energy: -151.843
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.457
local terms energy: -65.319291
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -198.217275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.217275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.217275 (E_RNA)
where:
Base-Base interactions energy: -125.200
where: short stacking energy: -54.470
Base-Backbone interact. energy: 0.779
local terms energy: -73.796703
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -140.217037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.217037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.217037 (E_RNA)
where:
Base-Base interactions energy: -78.005
where: short stacking energy: -39.664
Base-Backbone interact. energy: -1.602
local terms energy: -60.609611
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -4.230
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -100.928481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.928481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.928481 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.451
local terms energy: -44.264873
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: 4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -93.529652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.529652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.529652 (E_RNA)
where:
Base-Base interactions energy: -32.991
where: short stacking energy: -23.694
Base-Backbone interact. energy: -1.286
local terms energy: -59.252282
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -3.740
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: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -292.920895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.920895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.920895 (E_RNA)
where:
Base-Base interactions energy: -192.516
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.081
local terms energy: -100.324498
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -245.107325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.107325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.107325 (E_RNA)
where:
Base-Base interactions energy: -163.330
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.112
local terms energy: -81.665332
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -17.119
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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -259.106655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.106655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.106655 (E_RNA)
where:
Base-Base interactions energy: -184.040
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.190
local terms energy: -74.876614
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -218.567291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567291 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.163
local terms energy: -86.065937
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -231.023043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.023043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.023043 (E_RNA)
where:
Base-Base interactions energy: -159.138
where: short stacking energy: -56.068
Base-Backbone interact. energy: 0.088
local terms energy: -71.972672
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -8.612
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: 24
Temperature: 1.150000
Total energy: -186.472322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.472322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.472322 (E_RNA)
where:
Base-Base interactions energy: -122.420
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.462
local terms energy: -63.590528
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -198.174231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174231 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -49.959
Base-Backbone interact. energy: -1.472
local terms energy: -73.190579
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -9.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -107.458360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.458360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.458360 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.014
local terms energy: -64.934795
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -98.889638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.889638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.889638 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.181
local terms energy: -64.797094
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -6.573
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: 24
Temperature: 1.350000
Total energy: -90.066607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.066607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.066607 (E_RNA)
where:
Base-Base interactions energy: -26.076
where: short stacking energy: -26.076
Base-Backbone interact. energy: -1.336
local terms energy: -62.654607
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -288.703095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.703095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.703095 (E_RNA)
where:
Base-Base interactions energy: -194.068
where: short stacking energy: -86.752
Base-Backbone interact. energy: -0.640
local terms energy: -93.995265
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -253.116299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.116299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.116299 (E_RNA)
where:
Base-Base interactions energy: -171.679
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.309
local terms energy: -81.127932
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -266.643339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.643339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.643339 (E_RNA)
where:
Base-Base interactions energy: -181.118
where: short stacking energy: -70.661
Base-Backbone interact. energy: -1.109
local terms energy: -84.416072
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -256.007868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.007868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.007868 (E_RNA)
where:
Base-Base interactions energy: -174.588
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.109
local terms energy: -81.311565
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -202.586029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.586029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.586029 (E_RNA)
where:
Base-Base interactions energy: -122.260
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.325
local terms energy: -80.000765
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -10.155
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: 25
Temperature: 1.150000
Total energy: -209.136127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.136127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.136127 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.528
local terms energy: -65.964483
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -142.203950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.203950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.203950 (E_RNA)
where:
Base-Base interactions energy: -79.747
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.011
local terms energy: -62.445975
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -9.921
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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -113.763572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.763572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.763572 (E_RNA)
where:
Base-Base interactions energy: -45.566
where: short stacking energy: -43.038
Base-Backbone interact. energy: 0.747
local terms energy: -68.944673
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -105.159040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.159040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.159040 (E_RNA)
where:
Base-Base interactions energy: -61.596
where: short stacking energy: -36.595
Base-Backbone interact. energy: -1.012
local terms energy: -42.550371
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.048
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: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -99.063631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.063631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.063631 (E_RNA)
where:
Base-Base interactions energy: -36.180
where: short stacking energy: -32.814
Base-Backbone interact. energy: -0.093
local terms energy: -62.790782
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -298.025914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.025914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.025914 (E_RNA)
where:
Base-Base interactions energy: -200.847
where: short stacking energy: -89.435
Base-Backbone interact. energy: -0.156
local terms energy: -97.022578
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -27.676
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: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -264.151108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.151108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.151108 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -62.016
Base-Backbone interact. energy: 1.987
local terms energy: -80.194652
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -258.754022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.754022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.754022 (E_RNA)
where:
Base-Base interactions energy: -173.987
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.306
local terms energy: -84.460946
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -253.278028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.278028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.278028 (E_RNA)
where:
Base-Base interactions energy: -169.420
where: short stacking energy: -62.421
Base-Backbone interact. energy: -2.201
local terms energy: -81.656620
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -237.318475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.318475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.318475 (E_RNA)
where:
Base-Base interactions energy: -156.475
where: short stacking energy: -59.657
Base-Backbone interact. energy: -1.140
local terms energy: -79.703728
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -200.956989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.956989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.956989 (E_RNA)
where:
Base-Base interactions energy: -126.050
where: short stacking energy: -57.334
Base-Backbone interact. energy: -1.954
local terms energy: -72.953185
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -142.927783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.927783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.927783 (E_RNA)
where:
Base-Base interactions energy: -68.609
where: short stacking energy: -38.324
Base-Backbone interact. energy: -0.052
local terms energy: -74.266749
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -5.937
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: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -109.679382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.679382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.679382 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -41.311
Base-Backbone interact. energy: -0.062
local terms energy: -63.516549
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -99.856249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.856249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.856249 (E_RNA)
where:
Base-Base interactions energy: -37.870
where: short stacking energy: -25.120
Base-Backbone interact. energy: 1.552
local terms energy: -63.538411
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.216
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: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -93.809409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.809409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.809409 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.415
local terms energy: -54.702953
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: 2.876
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -299.460859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.460859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.460859 (E_RNA)
where:
Base-Base interactions energy: -197.356
where: short stacking energy: -88.459
Base-Backbone interact. energy: -1.033
local terms energy: -101.072442
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -24.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -263.252656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.252656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.252656 (E_RNA)
where:
Base-Base interactions energy: -175.580
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.238
local terms energy: -87.433981
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -19.088
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -265.225602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.225602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.225602 (E_RNA)
where:
Base-Base interactions energy: -187.289
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.155
local terms energy: -77.781163
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -251.675840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.675840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.675840 (E_RNA)
where:
Base-Base interactions energy: -173.938
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.067
local terms energy: -77.670376
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -16.126
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: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -243.688555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.688555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.688555 (E_RNA)
where:
Base-Base interactions energy: -163.603
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.269
local terms energy: -79.815735
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -216.474888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.474888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.474888 (E_RNA)
where:
Base-Base interactions energy: -140.473
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.286
local terms energy: -75.716133
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -139.311704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.311704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.311704 (E_RNA)
where:
Base-Base interactions energy: -72.766
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.278
local terms energy: -66.267740
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -107.499784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.499784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.499784 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.126
local terms energy: -69.815294
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -100.373134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.373134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.373134 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -21.505
Base-Backbone interact. energy: -1.260
local terms energy: -60.843232
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -104.413078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.413078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.413078 (E_RNA)
where:
Base-Base interactions energy: -50.347
where: short stacking energy: -21.567
Base-Backbone interact. energy: -0.194
local terms energy: -53.872249
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -288.018320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.018320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.018320 (E_RNA)
where:
Base-Base interactions energy: -194.219
where: short stacking energy: -84.318
Base-Backbone interact. energy: -0.482
local terms energy: -93.317124
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -255.603198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.603198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.603198 (E_RNA)
where:
Base-Base interactions energy: -171.516
where: short stacking energy: -67.869
Base-Backbone interact. energy: -0.687
local terms energy: -83.399866
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -15.651
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: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -267.619348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.619348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.619348 (E_RNA)
where:
Base-Base interactions energy: -183.951
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.186
local terms energy: -83.481932
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -13.222
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -251.376177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.376177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.376177 (E_RNA)
where:
Base-Base interactions energy: -165.118
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.575
local terms energy: -85.683273
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -237.818536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.818536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.818536 (E_RNA)
where:
Base-Base interactions energy: -150.609
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.143
local terms energy: -87.066858
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -195.290215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.290215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.290215 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -48.941
Base-Backbone interact. energy: 0.084
local terms energy: -63.717582
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -8.283
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: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -163.748599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.748599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.748599 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -38.688
Base-Backbone interact. energy: 1.636
local terms energy: -71.608870
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -135.599844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.599844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.599844 (E_RNA)
where:
Base-Base interactions energy: -72.575
where: short stacking energy: -48.848
Base-Backbone interact. energy: 1.417
local terms energy: -64.441847
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -99.840321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.840321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.840321 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.127
local terms energy: -54.714094
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -90.464626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.464626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.464626 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -32.777
Base-Backbone interact. energy: 1.074
local terms energy: -58.961819
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -292.755498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.755498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.755498 (E_RNA)
where:
Base-Base interactions energy: -196.458
where: short stacking energy: -85.195
Base-Backbone interact. energy: -0.942
local terms energy: -95.355977
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -274.561078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.561078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.561078 (E_RNA)
where:
Base-Base interactions energy: -183.711
where: short stacking energy: -73.616
Base-Backbone interact. energy: -0.825
local terms energy: -90.024858
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -16.394
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: 29
Temperature: 1.000000
Total energy: -249.788802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.788802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.788802 (E_RNA)
where:
Base-Base interactions energy: -168.123
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.155
local terms energy: -81.510966
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -252.254393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.254393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.254393 (E_RNA)
where:
Base-Base interactions energy: -171.275
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.317
local terms energy: -80.661653
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.897
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: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -245.994934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.994934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.994934 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -60.328
Base-Backbone interact. energy: -0.067
local terms energy: -80.287402
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -217.656671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656671 (E_RNA)
where:
Base-Base interactions energy: -135.612
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.035
local terms energy: -82.010534
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -159.804459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.804459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.804459 (E_RNA)
where:
Base-Base interactions energy: -86.985
where: short stacking energy: -43.191
Base-Backbone interact. energy: -0.271
local terms energy: -72.548866
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -126.843129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.843129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.843129 (E_RNA)
where:
Base-Base interactions energy: -48.838
where: short stacking energy: -33.342
Base-Backbone interact. energy: -0.426
local terms energy: -77.579058
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -101.501477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501477 (E_RNA)
where:
Base-Base interactions energy: -31.625
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.249
local terms energy: -69.628073
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -8.249
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: 29
Temperature: 1.350000
Total energy: -83.917195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.917195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.917195 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -29.621
Base-Backbone interact. energy: 0.200
local terms energy: -49.444709
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -281.612072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.612072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.612072 (E_RNA)
where:
Base-Base interactions energy: -192.020
where: short stacking energy: -84.558
Base-Backbone interact. energy: -0.103
local terms energy: -89.489624
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -265.631691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.631691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.631691 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -71.508
Base-Backbone interact. energy: -1.019
local terms energy: -88.318463
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -11.807
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: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -254.801911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.801911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.801911 (E_RNA)
where:
Base-Base interactions energy: -172.055
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.774
local terms energy: -81.973408
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -247.523159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.523159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.523159 (E_RNA)
where:
Base-Base interactions energy: -178.049
where: short stacking energy: -63.978
Base-Backbone interact. energy: 2.082
local terms energy: -71.555854
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -14.337
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: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -247.973882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.973882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.973882 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.215
local terms energy: -81.265467
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -126.119738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.119738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.119738 (E_RNA)
where:
Base-Base interactions energy: -61.721
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.149
local terms energy: -64.249094
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -8.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -180.067554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.067554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.067554 (E_RNA)
where:
Base-Base interactions energy: -101.538
where: short stacking energy: -52.814
Base-Backbone interact. energy: 0.003
local terms energy: -78.532059
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -124.507000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.507000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.507000 (E_RNA)
where:
Base-Base interactions energy: -61.603
where: short stacking energy: -36.022
Base-Backbone interact. energy: -0.334
local terms energy: -62.569637
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -135.151666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.151666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.151666 (E_RNA)
where:
Base-Base interactions energy: -78.276
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.259
local terms energy: -56.616487
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -95.813139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.813139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.813139 (E_RNA)
where:
Base-Base interactions energy: -40.372
where: short stacking energy: -30.622
Base-Backbone interact. energy: 1.342
local terms energy: -56.782724
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -1.742
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: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -298.023230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.023230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023230 (E_RNA)
where:
Base-Base interactions energy: -197.190
where: short stacking energy: -82.665
Base-Backbone interact. energy: -0.912
local terms energy: -99.921923
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -277.339662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.339662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.339662 (E_RNA)
where:
Base-Base interactions energy: -179.383
where: short stacking energy: -71.424
Base-Backbone interact. energy: -1.317
local terms energy: -96.639395
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -259.006239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.006239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.006239 (E_RNA)
where:
Base-Base interactions energy: -167.027
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.544
local terms energy: -91.434871
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -16.664
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: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -243.491669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.491669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.491669 (E_RNA)
where:
Base-Base interactions energy: -160.517
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.297
local terms energy: -82.677867
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -254.933629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.933629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.933629 (E_RNA)
where:
Base-Base interactions energy: -174.054
where: short stacking energy: -60.796
Base-Backbone interact. energy: 0.559
local terms energy: -81.438733
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -191.429980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.429980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.429980 (E_RNA)
where:
Base-Base interactions energy: -120.151
where: short stacking energy: -56.235
Base-Backbone interact. energy: 0.637
local terms energy: -71.915683
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -11.187
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -113.334338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.334338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.334338 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.735
local terms energy: -67.120867
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -9.265
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: 31
Temperature: 1.250000
Total energy: -104.999344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.999344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.999344 (E_RNA)
where:
Base-Base interactions energy: -38.371
where: short stacking energy: -38.371
Base-Backbone interact. energy: -0.091
local terms energy: -66.537310
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -118.040382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.040382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.040382 (E_RNA)
where:
Base-Base interactions energy: -60.759
where: short stacking energy: -25.950
Base-Backbone interact. energy: -0.246
local terms energy: -57.035363
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -94.904367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.904367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.904367 (E_RNA)
where:
Base-Base interactions energy: -27.231
where: short stacking energy: -25.413
Base-Backbone interact. energy: 2.033
local terms energy: -69.706369
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -289.002860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.002860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.002860 (E_RNA)
where:
Base-Base interactions energy: -190.527
where: short stacking energy: -83.460
Base-Backbone interact. energy: -0.075
local terms energy: -98.400272
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -14.053
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: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -271.148624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.148624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.148624 (E_RNA)
where:
Base-Base interactions energy: -177.163
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.262
local terms energy: -93.723275
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -256.107743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.107743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.107743 (E_RNA)
where:
Base-Base interactions energy: -170.809
where: short stacking energy: -70.932
Base-Backbone interact. energy: -1.143
local terms energy: -84.155331
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -248.316317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.316317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.316317 (E_RNA)
where:
Base-Base interactions energy: -172.171
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.287
local terms energy: -75.858033
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -14.820
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: 32
Temperature: 1.100000
Total energy: -246.841407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.841407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.841407 (E_RNA)
where:
Base-Base interactions energy: -170.756
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.322
local terms energy: -75.763375
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -8.805
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: 32
Temperature: 1.150000
Total energy: -213.005028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.005028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.005028 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.107
local terms energy: -82.860424
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -125.677674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.677674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.677674 (E_RNA)
where:
Base-Base interactions energy: -53.780
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.240
local terms energy: -71.657614
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -105.621306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.621306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.621306 (E_RNA)
where:
Base-Base interactions energy: -56.998
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.489
local terms energy: -48.134313
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: 2.657
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: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -107.645217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.645217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.645217 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.059
local terms energy: -61.072413
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -110.025641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.025641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.025641 (E_RNA)
where:
Base-Base interactions energy: -60.303
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.494
local terms energy: -49.229148
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -5.327
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: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -286.716853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.716853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.716853 (E_RNA)
where:
Base-Base interactions energy: -193.926
where: short stacking energy: -87.487
Base-Backbone interact. energy: -0.092
local terms energy: -92.698387
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -25.098
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -255.677998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.677998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.677998 (E_RNA)
where:
Base-Base interactions energy: -168.522
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.482
local terms energy: -86.674577
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -13.451
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -263.571809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.571809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.571809 (E_RNA)
where:
Base-Base interactions energy: -172.621
where: short stacking energy: -76.950
Base-Backbone interact. energy: 0.467
local terms energy: -91.417181
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.311
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: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -260.255054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.255054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.255054 (E_RNA)
where:
Base-Base interactions energy: -175.063
where: short stacking energy: -64.065
Base-Backbone interact. energy: 1.006
local terms energy: -86.198247
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -243.055183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.055183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.055183 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.176
local terms energy: -76.614059
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -227.878716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.878716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878716 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -73.759
Base-Backbone interact. energy: -0.001
local terms energy: -100.622792
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -26.828
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: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -106.217956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.217956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.217956 (E_RNA)
where:
Base-Base interactions energy: -47.739
where: short stacking energy: -28.001
Base-Backbone interact. energy: 0.263
local terms energy: -58.741591
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -133.483370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.483370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.483370 (E_RNA)
where:
Base-Base interactions energy: -76.523
where: short stacking energy: -42.973
Base-Backbone interact. energy: -1.218
local terms energy: -55.742172
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -6.149
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: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -95.402009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.402009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.402009 (E_RNA)
where:
Base-Base interactions energy: -35.798
where: short stacking energy: -35.798
Base-Backbone interact. energy: 2.051
local terms energy: -61.655499
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -143.335972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.335972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.335972 (E_RNA)
where:
Base-Base interactions energy: -77.893
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.072
local terms energy: -65.370430
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -287.327751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.327751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.327751 (E_RNA)
where:
Base-Base interactions energy: -194.466
where: short stacking energy: -83.173
Base-Backbone interact. energy: -0.100
local terms energy: -92.762108
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -248.613566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.613566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.613566 (E_RNA)
where:
Base-Base interactions energy: -169.979
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.173
local terms energy: -78.461631
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -258.339856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.339856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.339856 (E_RNA)
where:
Base-Base interactions energy: -168.332
where: short stacking energy: -70.696
Base-Backbone interact. energy: -0.795
local terms energy: -89.213094
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -256.947433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.947433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.947433 (E_RNA)
where:
Base-Base interactions energy: -173.143
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.388
local terms energy: -83.417218
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -245.863668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.863668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.863668 (E_RNA)
where:
Base-Base interactions energy: -176.164
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.672
local terms energy: -69.028466
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.264
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -213.777478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777478 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.558
local terms energy: -81.439276
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: -21.317
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: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -133.082723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.082723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.082723 (E_RNA)
where:
Base-Base interactions energy: -60.563
where: short stacking energy: -39.092
Base-Backbone interact. energy: -0.035
local terms energy: -72.485001
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -112.637246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.637246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.637246 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.150
local terms energy: -71.994194
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -107.971666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.971666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.971666 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -28.137
Base-Backbone interact. energy: -0.107
local terms energy: -68.058898
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -95.346197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.346197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.346197 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -27.044
Base-Backbone interact. energy: -1.561
local terms energy: -54.916415
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -279.844767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.844767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.844767 (E_RNA)
where:
Base-Base interactions energy: -192.436
where: short stacking energy: -79.512
Base-Backbone interact. energy: -0.067
local terms energy: -87.341150
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -276.109754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.109754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.109754 (E_RNA)
where:
Base-Base interactions energy: -184.929
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.898
local terms energy: -90.282284
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -248.115983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.115983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.115983 (E_RNA)
where:
Base-Base interactions energy: -174.302
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.296
local terms energy: -73.518486
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -234.420498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.420498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.420498 (E_RNA)
where:
Base-Base interactions energy: -156.759
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.663
local terms energy: -76.998834
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -243.550135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.550135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.550135 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -64.811
Base-Backbone interact. energy: 0.731
local terms energy: -87.427205
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -207.341009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.341009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.341009 (E_RNA)
where:
Base-Base interactions energy: -123.521
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.392
local terms energy: -83.428358
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -9.916
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: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -144.875609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.875609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.875609 (E_RNA)
where:
Base-Base interactions energy: -77.211
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.025
local terms energy: -67.639500
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -98.238581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.238581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.238581 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.646
local terms energy: -58.773043
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: 2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -93.928020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.928020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.928020 (E_RNA)
where:
Base-Base interactions energy: -32.661
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.262
local terms energy: -61.005005
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -104.668729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.668729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.668729 (E_RNA)
where:
Base-Base interactions energy: -40.326
where: short stacking energy: -25.234
Base-Backbone interact. energy: -0.270
local terms energy: -64.072438
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -8.243
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: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -273.702208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.702208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.702208 (E_RNA)
where:
Base-Base interactions energy: -179.976
where: short stacking energy: -81.544
Base-Backbone interact. energy: -1.415
local terms energy: -92.310495
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -20.960
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -279.601729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.601729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.601729 (E_RNA)
where:
Base-Base interactions energy: -179.707
where: short stacking energy: -82.831
Base-Backbone interact. energy: -0.915
local terms energy: -98.979592
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -250.413888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.413888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.413888 (E_RNA)
where:
Base-Base interactions energy: -168.944
where: short stacking energy: -68.638
Base-Backbone interact. energy: -0.288
local terms energy: -81.182547
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -17.488
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -265.688598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.688598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.688598 (E_RNA)
where:
Base-Base interactions energy: -175.480
where: short stacking energy: -63.923
Base-Backbone interact. energy: 0.382
local terms energy: -90.590567
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -217.311133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.311133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.311133 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -56.824
Base-Backbone interact. energy: 1.355
local terms energy: -90.337703
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -236.981066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.981066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.981066 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -55.141
Base-Backbone interact. energy: 0.169
local terms energy: -67.881284
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.857
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -120.490642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.490642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.490642 (E_RNA)
where:
Base-Base interactions energy: -51.716
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.110
local terms energy: -68.664608
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -137.822509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.822509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.822509 (E_RNA)
where:
Base-Base interactions energy: -61.744
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.128
local terms energy: -75.950087
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -111.915118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.915118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.915118 (E_RNA)
where:
Base-Base interactions energy: -47.085
where: short stacking energy: -34.978
Base-Backbone interact. energy: -0.072
local terms energy: -64.757952
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -92.279209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.279209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.279209 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -21.671
Base-Backbone interact. energy: 0.171
local terms energy: -61.445638
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -272.816936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.816936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.816936 (E_RNA)
where:
Base-Base interactions energy: -180.865
where: short stacking energy: -79.741
Base-Backbone interact. energy: -1.780
local terms energy: -90.171457
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -252.856674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.856674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.856674 (E_RNA)
where:
Base-Base interactions energy: -173.726
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.342
local terms energy: -78.788887
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -13.479
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: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -278.488896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.488896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.488896 (E_RNA)
where:
Base-Base interactions energy: -190.217
where: short stacking energy: -80.693
Base-Backbone interact. energy: 0.002
local terms energy: -88.273862
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -260.921323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.921323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.921323 (E_RNA)
where:
Base-Base interactions energy: -179.074
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.911
local terms energy: -80.936292
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -222.052093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.052093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.052093 (E_RNA)
where:
Base-Base interactions energy: -133.475
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.154
local terms energy: -88.423118
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -231.151720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.151720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.151720 (E_RNA)
where:
Base-Base interactions energy: -153.039
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.503
local terms energy: -77.609500
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -121.753733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.753733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.753733 (E_RNA)
where:
Base-Base interactions energy: -52.608
where: short stacking energy: -44.378
Base-Backbone interact. energy: 1.041
local terms energy: -70.186431
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -103.121348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.121348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.121348 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.078
local terms energy: -58.878109
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -98.913043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.913043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.913043 (E_RNA)
where:
Base-Base interactions energy: -35.493
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.582
local terms energy: -62.838485
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: 5.069
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -96.001130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.001130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.001130 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -13.402
Base-Backbone interact. energy: -1.018
local terms energy: -57.936090
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: 1.343
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -263.400946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.400946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.400946 (E_RNA)
where:
Base-Base interactions energy: -181.353
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.910
local terms energy: -81.137694
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -249.383629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.383629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.383629 (E_RNA)
where:
Base-Base interactions energy: -162.408
where: short stacking energy: -63.627
Base-Backbone interact. energy: -1.710
local terms energy: -85.265527
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -289.816717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.816717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.816717 (E_RNA)
where:
Base-Base interactions energy: -195.022
where: short stacking energy: -83.150
Base-Backbone interact. energy: -0.013
local terms energy: -94.781533
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -18.599
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: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -261.965578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.965578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.965578 (E_RNA)
where:
Base-Base interactions energy: -177.959
where: short stacking energy: -65.260
Base-Backbone interact. energy: -0.912
local terms energy: -83.095068
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -242.992505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.992505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.992505 (E_RNA)
where:
Base-Base interactions energy: -167.707
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.204
local terms energy: -75.081659
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.357
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -225.556808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.556808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.556808 (E_RNA)
where:
Base-Base interactions energy: -139.701
where: short stacking energy: -79.030
Base-Backbone interact. energy: -0.238
local terms energy: -85.618365
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -107.314914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.314914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.314914 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.179
local terms energy: -64.863552
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -110.297933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.297933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.297933 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -43.659
Base-Backbone interact. energy: -1.133
local terms energy: -55.162222
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -89.609519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609519 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -18.877
Base-Backbone interact. energy: -0.095
local terms energy: -57.626595
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -84.120704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120704 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.552
local terms energy: -53.587648
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -259.815719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.815719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.815719 (E_RNA)
where:
Base-Base interactions energy: -173.149
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.636
local terms energy: -86.030442
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -293.141488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.141488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.141488 (E_RNA)
where:
Base-Base interactions energy: -197.576
where: short stacking energy: -89.982
Base-Backbone interact. energy: -1.278
local terms energy: -94.286984
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -253.499522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.499522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.499522 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -71.992
Base-Backbone interact. energy: -0.814
local terms energy: -82.929610
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -267.109787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.109787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.109787 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -62.445
Base-Backbone interact. energy: 1.170
local terms energy: -83.610169
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -238.712969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.712969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.712969 (E_RNA)
where:
Base-Base interactions energy: -163.682
where: short stacking energy: -66.290
Base-Backbone interact. energy: 0.528
local terms energy: -75.558236
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -14.141
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: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -223.965924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.965924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.965924 (E_RNA)
where:
Base-Base interactions energy: -133.784
where: short stacking energy: -73.824
Base-Backbone interact. energy: -0.114
local terms energy: -90.068366
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -148.621113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.621113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.621113 (E_RNA)
where:
Base-Base interactions energy: -81.657
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.039
local terms energy: -66.924812
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -8.703
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: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -104.594632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.594632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.594632 (E_RNA)
where:
Base-Base interactions energy: -40.072
where: short stacking energy: -22.086
Base-Backbone interact. energy: 0.795
local terms energy: -65.317846
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -91.050942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.050942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.050942 (E_RNA)
where:
Base-Base interactions energy: -32.043
where: short stacking energy: -17.626
Base-Backbone interact. energy: -0.748
local terms energy: -58.259252
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: 3.533
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -95.268127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.268127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.268127 (E_RNA)
where:
Base-Base interactions energy: -40.238
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.442
local terms energy: -54.588585
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: 2.486
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: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -286.227473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.227473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.227473 (E_RNA)
where:
Base-Base interactions energy: -197.232
where: short stacking energy: -88.522
Base-Backbone interact. energy: -0.389
local terms energy: -88.606633
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -12.173
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -267.330482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.330482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.330482 (E_RNA)
where:
Base-Base interactions energy: -180.039
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.693
local terms energy: -86.599313
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -277.879980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.879980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.879980 (E_RNA)
where:
Base-Base interactions energy: -193.562
where: short stacking energy: -62.165
Base-Backbone interact. energy: 1.776
local terms energy: -86.094844
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -244.185344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.185344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.185344 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.374
local terms energy: -88.435288
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -10.654
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: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -233.935000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.935000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.935000 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -60.507
Base-Backbone interact. energy: 0.780
local terms energy: -78.433395
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -8.891
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -220.044770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.044770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.044770 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.450
local terms energy: -79.762136
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -145.328671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.328671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.328671 (E_RNA)
where:
Base-Base interactions energy: -76.921
where: short stacking energy: -44.720
Base-Backbone interact. energy: -0.223
local terms energy: -68.184396
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -10.560
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -99.350465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350465 (E_RNA)
where:
Base-Base interactions energy: -34.755
where: short stacking energy: -31.012
Base-Backbone interact. energy: -0.585
local terms energy: -64.009612
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -113.409564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.409564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.409564 (E_RNA)
where:
Base-Base interactions energy: -59.352
where: short stacking energy: -22.492
Base-Backbone interact. energy: -0.294
local terms energy: -53.763234
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: 5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -112.165388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.165388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.165388 (E_RNA)
where:
Base-Base interactions energy: -54.618
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.499
local terms energy: -57.048278
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -276.474472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.474472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.474472 (E_RNA)
where:
Base-Base interactions energy: -179.965
where: short stacking energy: -76.542
Base-Backbone interact. energy: 0.113
local terms energy: -96.622414
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -10.972
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: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -275.850715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.850715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.850715 (E_RNA)
where:
Base-Base interactions energy: -186.173
where: short stacking energy: -73.912
Base-Backbone interact. energy: -0.051
local terms energy: -89.627289
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -17.791
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: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -255.563646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.563646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.563646 (E_RNA)
where:
Base-Base interactions energy: -170.051
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.178
local terms energy: -85.334859
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -15.883
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: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -256.643095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.643095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.643095 (E_RNA)
where:
Base-Base interactions energy: -176.094
where: short stacking energy: -57.889
Base-Backbone interact. energy: -0.877
local terms energy: -79.672136
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -243.581414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.581414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.581414 (E_RNA)
where:
Base-Base interactions energy: -154.598
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.907
local terms energy: -88.076449
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -209.606380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.606380 (E_RNA)
where:
Base-Base interactions energy: -119.584
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.862
local terms energy: -89.160798
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -136.757951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.757951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.757951 (E_RNA)
where:
Base-Base interactions energy: -65.879
where: short stacking energy: -40.158
Base-Backbone interact. energy: -0.625
local terms energy: -70.253692
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -123.625422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.625422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.625422 (E_RNA)
where:
Base-Base interactions energy: -58.958
where: short stacking energy: -34.845
Base-Backbone interact. energy: -0.497
local terms energy: -64.170420
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: 1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -93.609660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.609660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.609660 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -28.236
Base-Backbone interact. energy: 1.459
local terms energy: -61.299681
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -101.804019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.804019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.804019 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.131
local terms energy: -64.739254
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -2.815
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: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -280.256139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.256139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.256139 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -77.915
Base-Backbone interact. energy: 1.110
local terms energy: -88.573238
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -270.321936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.321936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321936 (E_RNA)
where:
Base-Base interactions energy: -186.396
where: short stacking energy: -79.037
Base-Backbone interact. energy: -0.469
local terms energy: -83.456242
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -257.629770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.629770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.629770 (E_RNA)
where:
Base-Base interactions energy: -182.003
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.152
local terms energy: -75.474725
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -265.023030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.023030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.023030 (E_RNA)
where:
Base-Base interactions energy: -181.736
where: short stacking energy: -72.794
Base-Backbone interact. energy: -0.533
local terms energy: -82.754200
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -233.686386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.686386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.686386 (E_RNA)
where:
Base-Base interactions energy: -149.297
where: short stacking energy: -71.500
Base-Backbone interact. energy: 0.029
local terms energy: -84.417934
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -226.875836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.875836 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -59.145
Base-Backbone interact. energy: -1.105
local terms energy: -68.624513
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -181.986291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.986291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.986291 (E_RNA)
where:
Base-Base interactions energy: -99.251
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.072
local terms energy: -82.663798
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -13.798
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -98.184378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.184378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.184378 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -27.980
Base-Backbone interact. energy: 0.309
local terms energy: -56.473025
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -96.163811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.163811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.163811 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.236
local terms energy: -56.359759
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: 0.070
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: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -91.437345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437345 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -15.688
Base-Backbone interact. energy: -0.197
local terms energy: -60.355525
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -279.992395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.992395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.992395 (E_RNA)
where:
Base-Base interactions energy: -187.706
where: short stacking energy: -73.614
Base-Backbone interact. energy: -0.051
local terms energy: -92.235076
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -274.913703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.913703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.913703 (E_RNA)
where:
Base-Base interactions energy: -180.707
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.045
local terms energy: -94.161691
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -23.685
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: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -256.786136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.786136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.786136 (E_RNA)
where:
Base-Base interactions energy: -172.201
where: short stacking energy: -69.081
Base-Backbone interact. energy: -0.169
local terms energy: -84.416041
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -258.897252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.897252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.897252 (E_RNA)
where:
Base-Base interactions energy: -168.730
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.852
local terms energy: -89.315402
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -17.238
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: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -232.994925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994925 (E_RNA)
where:
Base-Base interactions energy: -156.625
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.102
local terms energy: -76.268030
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -196.476122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476122 (E_RNA)
where:
Base-Base interactions energy: -108.547
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.069
local terms energy: -87.860899
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -227.404865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.404865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.404865 (E_RNA)
where:
Base-Base interactions energy: -160.785
where: short stacking energy: -46.561
Base-Backbone interact. energy: 0.146
local terms energy: -66.766244
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -97.653745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653745 (E_RNA)
where:
Base-Base interactions energy: -40.274
where: short stacking energy: -36.317
Base-Backbone interact. energy: -1.030
local terms energy: -56.349664
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -118.726385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.726385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.726385 (E_RNA)
where:
Base-Base interactions energy: -58.634
where: short stacking energy: -44.459
Base-Backbone interact. energy: 0.009
local terms energy: -60.102351
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -101.097544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.097544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.097544 (E_RNA)
where:
Base-Base interactions energy: -45.578
where: short stacking energy: -35.358
Base-Backbone interact. energy: -0.129
local terms energy: -55.389814
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -0.539
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: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -291.205029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.205029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.205029 (E_RNA)
where:
Base-Base interactions energy: -195.902
where: short stacking energy: -84.957
Base-Backbone interact. energy: -0.163
local terms energy: -95.140062
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -282.604363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.604363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.604363 (E_RNA)
where:
Base-Base interactions energy: -194.127
where: short stacking energy: -70.038
Base-Backbone interact. energy: -0.050
local terms energy: -88.427359
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -18.720
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: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -247.613650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.613650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.613650 (E_RNA)
where:
Base-Base interactions energy: -169.870
where: short stacking energy: -60.450
Base-Backbone interact. energy: 0.100
local terms energy: -77.843454
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -253.110925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.110925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.110925 (E_RNA)
where:
Base-Base interactions energy: -167.486
where: short stacking energy: -73.759
Base-Backbone interact. energy: 0.199
local terms energy: -85.824664
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -224.863891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.863891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.863891 (E_RNA)
where:
Base-Base interactions energy: -140.633
where: short stacking energy: -69.201
Base-Backbone interact. energy: -0.134
local terms energy: -84.097071
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -187.894586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894586 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -50.596
Base-Backbone interact. energy: 0.877
local terms energy: -75.241378
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -201.048341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.048341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.048341 (E_RNA)
where:
Base-Base interactions energy: -129.428
where: short stacking energy: -47.938
Base-Backbone interact. energy: -0.188
local terms energy: -71.433173
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -12.223
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: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -109.485031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.485031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.485031 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -38.037
Base-Backbone interact. energy: 4.259
local terms energy: -67.142243
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -93.238427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238427 (E_RNA)
where:
Base-Base interactions energy: -44.062
where: short stacking energy: -32.056
Base-Backbone interact. energy: 0.343
local terms energy: -49.518912
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -8.296
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -99.030384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.030384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.030384 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -29.070
Base-Backbone interact. energy: 1.859
local terms energy: -59.414570
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -7.996
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -288.922244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.922244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.922244 (E_RNA)
where:
Base-Base interactions energy: -193.806
where: short stacking energy: -82.810
Base-Backbone interact. energy: 0.168
local terms energy: -95.284266
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -271.792147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.792147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.792147 (E_RNA)
where:
Base-Base interactions energy: -180.648
where: short stacking energy: -69.131
Base-Backbone interact. energy: 0.411
local terms energy: -91.554647
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -19.521
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: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -260.411670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.411670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.411670 (E_RNA)
where:
Base-Base interactions energy: -177.093
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.868
local terms energy: -82.450556
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -249.474254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.474254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.474254 (E_RNA)
where:
Base-Base interactions energy: -171.228
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.566
local terms energy: -77.680887
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -252.025507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.025507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.025507 (E_RNA)
where:
Base-Base interactions energy: -164.106
where: short stacking energy: -62.447
Base-Backbone interact. energy: -1.193
local terms energy: -86.727048
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -18.271
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: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -199.417516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.417516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.417516 (E_RNA)
where:
Base-Base interactions energy: -114.861
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.013
local terms energy: -84.543548
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -15.809
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: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -121.034102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.034102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.034102 (E_RNA)
where:
Base-Base interactions energy: -54.251
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.111
local terms energy: -66.671907
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -124.371547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.371547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.371547 (E_RNA)
where:
Base-Base interactions energy: -63.986
where: short stacking energy: -39.941
Base-Backbone interact. energy: 0.906
local terms energy: -61.290770
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -107.569037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.569037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.569037 (E_RNA)
where:
Base-Base interactions energy: -44.196
where: short stacking energy: -25.760
Base-Backbone interact. energy: 2.219
local terms energy: -65.591460
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -3.425
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -87.856689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.856689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.856689 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.253
local terms energy: -53.300979
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: 2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -282.865637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.865637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.865637 (E_RNA)
where:
Base-Base interactions energy: -198.775
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.107
local terms energy: -83.983498
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -274.974079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.974079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.974079 (E_RNA)
where:
Base-Base interactions energy: -187.757
where: short stacking energy: -73.503
Base-Backbone interact. energy: -1.061
local terms energy: -86.156140
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -257.555537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.555537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.555537 (E_RNA)
where:
Base-Base interactions energy: -177.076
where: short stacking energy: -68.894
Base-Backbone interact. energy: -0.048
local terms energy: -80.431569
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -243.427737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.427737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.427737 (E_RNA)
where:
Base-Base interactions energy: -168.676
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.005
local terms energy: -74.747019
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -226.823999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.823999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.823999 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -57.735
Base-Backbone interact. energy: 0.674
local terms energy: -76.350044
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -12.287
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -247.206746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.206746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.206746 (E_RNA)
where:
Base-Base interactions energy: -160.934
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.022
local terms energy: -86.250016
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -19.210
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: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -113.975982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.975982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.975982 (E_RNA)
where:
Base-Base interactions energy: -53.506
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.439
local terms energy: -60.031201
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -106.149084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149084 (E_RNA)
where:
Base-Base interactions energy: -39.965
where: short stacking energy: -30.587
Base-Backbone interact. energy: 0.087
local terms energy: -66.271636
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -91.630977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.630977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.630977 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.160
local terms energy: -60.187601
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -100.611751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.611751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.611751 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -19.834
Base-Backbone interact. energy: -0.771
local terms energy: -65.922557
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -282.994462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.994462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.994462 (E_RNA)
where:
Base-Base interactions energy: -195.139
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.150
local terms energy: -87.705487
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -289.629321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.629321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.629321 (E_RNA)
where:
Base-Base interactions energy: -195.143
where: short stacking energy: -80.568
Base-Backbone interact. energy: -0.003
local terms energy: -94.483338
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -231.802152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.802152 (E_RNA)
where:
Base-Base interactions energy: -146.543
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.722
local terms energy: -84.537329
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -237.590387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.590387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.590387 (E_RNA)
where:
Base-Base interactions energy: -159.229
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.305
local terms energy: -78.055517
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -242.994475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.994475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.994475 (E_RNA)
where:
Base-Base interactions energy: -160.885
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.219
local terms energy: -81.890266
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -208.658285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.658285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.658285 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.075
local terms energy: -72.719944
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -107.095313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.095313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.095313 (E_RNA)
where:
Base-Base interactions energy: -62.034
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.556
local terms energy: -44.505071
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -113.133480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.133480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.133480 (E_RNA)
where:
Base-Base interactions energy: -51.533
where: short stacking energy: -40.905
Base-Backbone interact. energy: 0.395
local terms energy: -61.995612
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -124.847326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.847326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.847326 (E_RNA)
where:
Base-Base interactions energy: -67.867
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.698
local terms energy: -56.281992
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -82.336713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.336713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.336713 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.115
local terms energy: -52.657134
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -288.741353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.741353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.741353 (E_RNA)
where:
Base-Base interactions energy: -193.776
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.536
local terms energy: -94.429704
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -285.730426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.730426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.730426 (E_RNA)
where:
Base-Base interactions energy: -193.195
where: short stacking energy: -72.909
Base-Backbone interact. energy: 2.237
local terms energy: -94.772781
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -259.069588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.069588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.069588 (E_RNA)
where:
Base-Base interactions energy: -177.025
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.457
local terms energy: -81.587746
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -240.566500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.566500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.566500 (E_RNA)
where:
Base-Base interactions energy: -165.109
where: short stacking energy: -46.653
Base-Backbone interact. energy: 0.612
local terms energy: -76.068918
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -270.435842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.435842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.435842 (E_RNA)
where:
Base-Base interactions energy: -183.621
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.180
local terms energy: -86.635129
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -222.063641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.063641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063641 (E_RNA)
where:
Base-Base interactions energy: -137.931
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.151
local terms energy: -83.981251
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -158.946775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.946775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.946775 (E_RNA)
where:
Base-Base interactions energy: -90.878
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.024
local terms energy: -68.045443
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -115.513840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.513840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.513840 (E_RNA)
where:
Base-Base interactions energy: -49.549
where: short stacking energy: -29.591
Base-Backbone interact. energy: -0.918
local terms energy: -65.046747
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -103.675997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.675997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.675997 (E_RNA)
where:
Base-Base interactions energy: -46.162
where: short stacking energy: -24.966
Base-Backbone interact. energy: -0.634
local terms energy: -56.879753
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -1.422
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: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -96.810641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.810641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.810641 (E_RNA)
where:
Base-Base interactions energy: -37.870
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.698
local terms energy: -58.242333
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -14.009
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: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -280.136362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.136362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.136362 (E_RNA)
where:
Base-Base interactions energy: -189.506
where: short stacking energy: -70.881
Base-Backbone interact. energy: -0.975
local terms energy: -89.656011
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -279.554598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.554598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.554598 (E_RNA)
where:
Base-Base interactions energy: -188.680
where: short stacking energy: -71.997
Base-Backbone interact. energy: -0.088
local terms energy: -90.786934
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -254.012968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.012968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.012968 (E_RNA)
where:
Base-Base interactions energy: -173.340
where: short stacking energy: -82.062
Base-Backbone interact. energy: -0.253
local terms energy: -80.420359
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -267.113269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.113269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.113269 (E_RNA)
where:
Base-Base interactions energy: -175.101
where: short stacking energy: -70.072
Base-Backbone interact. energy: 0.105
local terms energy: -92.117598
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -260.045153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.045153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.045153 (E_RNA)
where:
Base-Base interactions energy: -181.353
where: short stacking energy: -63.232
Base-Backbone interact. energy: 0.222
local terms energy: -78.913831
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -210.562116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.562116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.562116 (E_RNA)
where:
Base-Base interactions energy: -129.618
where: short stacking energy: -65.077
Base-Backbone interact. energy: 0.491
local terms energy: -81.434817
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -12.795
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: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -109.000662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.000662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.000662 (E_RNA)
where:
Base-Base interactions energy: -46.114
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.787
local terms energy: -62.099465
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.952
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: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -104.793780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.793780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.793780 (E_RNA)
where:
Base-Base interactions energy: -42.923
where: short stacking energy: -30.600
Base-Backbone interact. energy: 1.938
local terms energy: -63.808643
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -2.922
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -108.054135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.054135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.054135 (E_RNA)
where:
Base-Base interactions energy: -43.672
where: short stacking energy: -41.111
Base-Backbone interact. energy: 2.136
local terms energy: -66.517768
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -100.340842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.340842 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.013
local terms energy: -64.733862
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -274.417207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.417207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.417207 (E_RNA)
where:
Base-Base interactions energy: -200.164
where: short stacking energy: -70.123
Base-Backbone interact. energy: -0.238
local terms energy: -74.015111
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -269.102723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.102723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.102723 (E_RNA)
where:
Base-Base interactions energy: -180.983
where: short stacking energy: -83.939
Base-Backbone interact. energy: -0.066
local terms energy: -88.053122
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -20.611
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -280.290960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.290960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.290960 (E_RNA)
where:
Base-Base interactions energy: -183.838
where: short stacking energy: -82.217
Base-Backbone interact. energy: 0.337
local terms energy: -96.790654
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -255.977519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.977519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.977519 (E_RNA)
where:
Base-Base interactions energy: -168.993
where: short stacking energy: -61.983
Base-Backbone interact. energy: 0.361
local terms energy: -87.345241
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -16.306
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: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -241.501968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501968 (E_RNA)
where:
Base-Base interactions energy: -167.979
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.272
local terms energy: -73.250972
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.136
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: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -211.468958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468958 (E_RNA)
where:
Base-Base interactions energy: -122.360
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.066
local terms energy: -89.042844
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -108.334538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.334538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.334538 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.055
local terms energy: -73.255754
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -111.487720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.487720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.487720 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.432
local terms energy: -60.946969
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -6.086
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: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -111.288160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.288160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.288160 (E_RNA)
where:
Base-Base interactions energy: -53.479
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.128
local terms energy: -57.681325
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -104.370594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.370594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.370594 (E_RNA)
where:
Base-Base interactions energy: -40.045
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.440
local terms energy: -63.886181
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -278.980640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.980640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.980640 (E_RNA)
where:
Base-Base interactions energy: -185.365
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.035
local terms energy: -93.580741
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -278.035079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.035079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.035079 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -91.789
Base-Backbone interact. energy: -0.273
local terms energy: -85.190223
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -275.136151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.136151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.136151 (E_RNA)
where:
Base-Base interactions energy: -188.463
where: short stacking energy: -79.408
Base-Backbone interact. energy: 0.641
local terms energy: -87.314896
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -258.492321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.492321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.492321 (E_RNA)
where:
Base-Base interactions energy: -176.996
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.263
local terms energy: -81.233088
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -222.903386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903386 (E_RNA)
where:
Base-Base interactions energy: -152.992
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.129
local terms energy: -69.782584
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -5.780
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: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -210.082543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.082543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.082543 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -70.954
Base-Backbone interact. energy: 0.570
local terms energy: -76.732602
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -127.049514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.049514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.049514 (E_RNA)
where:
Base-Base interactions energy: -58.681
where: short stacking energy: -47.744
Base-Backbone interact. energy: -0.214
local terms energy: -68.154470
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -6.933
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: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -102.090499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.090499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.090499 (E_RNA)
where:
Base-Base interactions energy: -42.682
where: short stacking energy: -40.621
Base-Backbone interact. energy: 0.841
local terms energy: -60.249447
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -5.146
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -101.210433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.210433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.210433 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -37.173
Base-Backbone interact. energy: 0.890
local terms energy: -64.815115
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -91.999364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.999364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.999364 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.294
local terms energy: -56.730552
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -293.595888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.595888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.595888 (E_RNA)
where:
Base-Base interactions energy: -197.531
where: short stacking energy: -81.886
Base-Backbone interact. energy: -1.453
local terms energy: -94.611900
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -271.642481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.642481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.642481 (E_RNA)
where:
Base-Base interactions energy: -181.048
where: short stacking energy: -70.444
Base-Backbone interact. energy: 0.663
local terms energy: -91.257271
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -255.293966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.293966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.293966 (E_RNA)
where:
Base-Base interactions energy: -174.633
where: short stacking energy: -67.674
Base-Backbone interact. energy: -0.230
local terms energy: -80.430780
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -279.218877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.218877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.218877 (E_RNA)
where:
Base-Base interactions energy: -187.689
where: short stacking energy: -78.222
Base-Backbone interact. energy: -0.005
local terms energy: -91.524424
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -12.608
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -197.073478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.073478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.073478 (E_RNA)
where:
Base-Base interactions energy: -122.756
where: short stacking energy: -48.456
Base-Backbone interact. energy: -0.079
local terms energy: -74.238310
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -210.411210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.411210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.411210 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -73.301
Base-Backbone interact. energy: -0.416
local terms energy: -79.897224
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -109.987360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.987360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.987360 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.514
local terms energy: -70.416078
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -115.819423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.819423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.819423 (E_RNA)
where:
Base-Base interactions energy: -53.528
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.125
local terms energy: -62.166152
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -98.219561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.219561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.219561 (E_RNA)
where:
Base-Base interactions energy: -38.662
where: short stacking energy: -26.903
Base-Backbone interact. energy: 0.380
local terms energy: -59.936833
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -99.391785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.391785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.391785 (E_RNA)
where:
Base-Base interactions energy: -54.210
where: short stacking energy: -23.983
Base-Backbone interact. energy: 1.212
local terms energy: -46.394266
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -291.647039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.647039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.647039 (E_RNA)
where:
Base-Base interactions energy: -196.878
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.520
local terms energy: -94.249102
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -13.570
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: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -278.201340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.201340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.201340 (E_RNA)
where:
Base-Base interactions energy: -190.023
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.126
local terms energy: -88.052100
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -257.248624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.248624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.248624 (E_RNA)
where:
Base-Base interactions energy: -168.543
where: short stacking energy: -79.405
Base-Backbone interact. energy: -0.290
local terms energy: -88.415052
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -19.410
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: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -277.709212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.709212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.709212 (E_RNA)
where:
Base-Base interactions energy: -189.074
where: short stacking energy: -81.275
Base-Backbone interact. energy: -0.429
local terms energy: -88.205475
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -25.936
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -238.282610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.282610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.282610 (E_RNA)
where:
Base-Base interactions energy: -169.156
where: short stacking energy: -59.379
Base-Backbone interact. energy: 0.487
local terms energy: -69.614268
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -210.595184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.595184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.595184 (E_RNA)
where:
Base-Base interactions energy: -126.081
where: short stacking energy: -67.158
Base-Backbone interact. energy: 0.370
local terms energy: -84.883853
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -129.060250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.060250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.060250 (E_RNA)
where:
Base-Base interactions energy: -66.340
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.141
local terms energy: -62.580192
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -123.283839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.283839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.283839 (E_RNA)
where:
Base-Base interactions energy: -61.239
where: short stacking energy: -41.232
Base-Backbone interact. energy: 0.285
local terms energy: -62.330051
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -5.478
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: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -100.119669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.119669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.119669 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.255
local terms energy: -59.631108
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -96.612326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.612326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.612326 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.133
local terms energy: -62.796659
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -295.294059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.294059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294059 (E_RNA)
where:
Base-Base interactions energy: -199.313
where: short stacking energy: -83.269
Base-Backbone interact. energy: -1.118
local terms energy: -94.863866
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -280.537076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.537076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.537076 (E_RNA)
where:
Base-Base interactions energy: -187.698
where: short stacking energy: -81.357
Base-Backbone interact. energy: 0.294
local terms energy: -93.133515
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -287.009345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.009345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.009345 (E_RNA)
where:
Base-Base interactions energy: -195.120
where: short stacking energy: -84.849
Base-Backbone interact. energy: -0.360
local terms energy: -91.528670
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -12.432
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: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -250.639725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.639725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.639725 (E_RNA)
where:
Base-Base interactions energy: -173.677
where: short stacking energy: -76.859
Base-Backbone interact. energy: -0.691
local terms energy: -76.272223
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -206.396607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.396607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.396607 (E_RNA)
where:
Base-Base interactions energy: -125.036
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.460
local terms energy: -80.900120
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -198.855676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.855676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.855676 (E_RNA)
where:
Base-Base interactions energy: -128.818
where: short stacking energy: -60.036
Base-Backbone interact. energy: -2.792
local terms energy: -67.245872
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -154.454586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.454586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.454586 (E_RNA)
where:
Base-Base interactions energy: -88.498
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.052
local terms energy: -65.904401
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -147.959736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.959736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.959736 (E_RNA)
where:
Base-Base interactions energy: -89.645
where: short stacking energy: -45.377
Base-Backbone interact. energy: -0.243
local terms energy: -58.071947
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -6.554
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: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -114.025540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.025540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.025540 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.183
local terms energy: -70.172645
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -103.906812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.906812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.906812 (E_RNA)
where:
Base-Base interactions energy: -30.883
where: short stacking energy: -30.883
Base-Backbone interact. energy: 0.171
local terms energy: -73.194417
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -282.806043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.806043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.806043 (E_RNA)
where:
Base-Base interactions energy: -201.346
where: short stacking energy: -74.670
Base-Backbone interact. energy: -0.358
local terms energy: -81.102075
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -287.116491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.116491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.116491 (E_RNA)
where:
Base-Base interactions energy: -189.356
where: short stacking energy: -84.887
Base-Backbone interact. energy: -0.044
local terms energy: -97.716309
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -272.804371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.804371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.804371 (E_RNA)
where:
Base-Base interactions energy: -185.899
where: short stacking energy: -83.402
Base-Backbone interact. energy: -0.587
local terms energy: -86.317830
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -9.049
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: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -259.908311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.908311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.908311 (E_RNA)
where:
Base-Base interactions energy: -178.404
where: short stacking energy: -77.113
Base-Backbone interact. energy: -0.452
local terms energy: -81.052632
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -22.373
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: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -219.002273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.002273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.002273 (E_RNA)
where:
Base-Base interactions energy: -140.174
where: short stacking energy: -63.502
Base-Backbone interact. energy: -0.055
local terms energy: -78.773320
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -218.245038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.245038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.245038 (E_RNA)
where:
Base-Base interactions energy: -157.178
where: short stacking energy: -45.406
Base-Backbone interact. energy: -0.298
local terms energy: -60.769058
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.458
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -165.107459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.107459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.107459 (E_RNA)
where:
Base-Base interactions energy: -89.475
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.076
local terms energy: -75.556673
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -160.825872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.825872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.825872 (E_RNA)
where:
Base-Base interactions energy: -97.193
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.172
local terms energy: -63.460946
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -103.745648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.745648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.745648 (E_RNA)
where:
Base-Base interactions energy: -45.591
where: short stacking energy: -36.686
Base-Backbone interact. energy: -0.101
local terms energy: -58.053589
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -97.162096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.162096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.162096 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -19.409
Base-Backbone interact. energy: -0.723
local terms energy: -53.386955
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: 5.613
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -291.104336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.104336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.104336 (E_RNA)
where:
Base-Base interactions energy: -191.870
where: short stacking energy: -89.066
Base-Backbone interact. energy: -0.011
local terms energy: -99.223263
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -14.953
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: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -279.170601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.170601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.170601 (E_RNA)
where:
Base-Base interactions energy: -197.421
where: short stacking energy: -76.951
Base-Backbone interact. energy: -0.231
local terms energy: -81.518483
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -8.497
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -256.005677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.005677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.005677 (E_RNA)
where:
Base-Base interactions energy: -177.530
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.575
local terms energy: -77.900588
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -268.534674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.534674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534674 (E_RNA)
where:
Base-Base interactions energy: -177.602
where: short stacking energy: -74.295
Base-Backbone interact. energy: -0.359
local terms energy: -90.573659
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -19.918
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: 56
Temperature: 1.100000
Total energy: -219.221563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.221563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.221563 (E_RNA)
where:
Base-Base interactions energy: -131.582
where: short stacking energy: -65.105
Base-Backbone interact. energy: -1.305
local terms energy: -86.334855
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -168.270318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270318 (E_RNA)
where:
Base-Base interactions energy: -92.832
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.129
local terms energy: -75.309534
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -11.535
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -157.100589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.100589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.100589 (E_RNA)
where:
Base-Base interactions energy: -88.205
where: short stacking energy: -49.680
Base-Backbone interact. energy: 0.708
local terms energy: -69.603777
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.340
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: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -163.754617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.754617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.754617 (E_RNA)
where:
Base-Base interactions energy: -106.195
where: short stacking energy: -52.018
Base-Backbone interact. energy: -0.095
local terms energy: -57.464569
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -103.987319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.987319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.987319 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -22.237
Base-Backbone interact. energy: -0.311
local terms energy: -63.213415
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -137.073024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.073024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.073024 (E_RNA)
where:
Base-Base interactions energy: -78.399
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.400
local terms energy: -58.273317
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: 1.343
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -289.175379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.175379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.175379 (E_RNA)
where:
Base-Base interactions energy: -186.987
where: short stacking energy: -83.744
Base-Backbone interact. energy: -0.118
local terms energy: -102.071026
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -23.278
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -258.434876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.434876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.434876 (E_RNA)
where:
Base-Base interactions energy: -169.103
where: short stacking energy: -72.898
Base-Backbone interact. energy: -0.612
local terms energy: -88.719832
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -282.089388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.089388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.089388 (E_RNA)
where:
Base-Base interactions energy: -192.328
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.226
local terms energy: -89.535203
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -277.543200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.543200 (E_RNA)
where:
Base-Base interactions energy: -187.862
where: short stacking energy: -81.670
Base-Backbone interact. energy: -0.104
local terms energy: -89.577300
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -22.386
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: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -202.679546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.679546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.679546 (E_RNA)
where:
Base-Base interactions energy: -121.028
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.223
local terms energy: -81.429147
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.400
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: 57
Temperature: 1.150000
Total energy: -141.589203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.589203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.589203 (E_RNA)
where:
Base-Base interactions energy: -78.623
where: short stacking energy: -43.049
Base-Backbone interact. energy: -0.134
local terms energy: -62.832267
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -164.240690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.240690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.240690 (E_RNA)
where:
Base-Base interactions energy: -94.753
where: short stacking energy: -55.167
Base-Backbone interact. energy: 0.078
local terms energy: -69.566193
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -12.360
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -190.567525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567525 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.859
local terms energy: -70.718374
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -106.258160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.258160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.258160 (E_RNA)
where:
Base-Base interactions energy: -38.053
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.045
local terms energy: -68.159566
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -90.412398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.412398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.412398 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -20.631
Base-Backbone interact. energy: 1.543
local terms energy: -51.533594
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -294.438437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.438437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.438437 (E_RNA)
where:
Base-Base interactions energy: -197.382
where: short stacking energy: -85.126
Base-Backbone interact. energy: -0.876
local terms energy: -96.179894
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -271.893325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.893325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.893325 (E_RNA)
where:
Base-Base interactions energy: -187.853
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.787
local terms energy: -83.252719
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -14.296
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: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -281.166399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.166399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.166399 (E_RNA)
where:
Base-Base interactions energy: -186.245
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.422
local terms energy: -94.499276
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -22.568
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -249.227876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.227876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.227876 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -72.117
Base-Backbone interact. energy: -1.128
local terms energy: -82.419038
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -230.191409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.191409 (E_RNA)
where:
Base-Base interactions energy: -156.516
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.094
local terms energy: -73.581562
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -167.296905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.296905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.296905 (E_RNA)
where:
Base-Base interactions energy: -99.455
where: short stacking energy: -39.131
Base-Backbone interact. energy: 1.112
local terms energy: -68.954668
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -205.970649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.970649 (E_RNA)
where:
Base-Base interactions energy: -121.398
where: short stacking energy: -55.535
Base-Backbone interact. energy: -0.349
local terms energy: -84.223571
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -20.246
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: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -169.445834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.445834 (E_RNA)
where:
Base-Base interactions energy: -94.656
where: short stacking energy: -44.859
Base-Backbone interact. energy: -0.215
local terms energy: -74.574305
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -107.520002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.520002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.520002 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -42.893
Base-Backbone interact. energy: 1.546
local terms energy: -61.911558
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -90.577012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.577012 (E_RNA)
where:
Base-Base interactions energy: -26.105
where: short stacking energy: -26.105
Base-Backbone interact. energy: -0.215
local terms energy: -64.256648
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -283.706015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.706015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.706015 (E_RNA)
where:
Base-Base interactions energy: -187.896
where: short stacking energy: -79.974
Base-Backbone interact. energy: -2.105
local terms energy: -93.704963
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -289.291021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.291021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.291021 (E_RNA)
where:
Base-Base interactions energy: -190.028
where: short stacking energy: -85.280
Base-Backbone interact. energy: 0.048
local terms energy: -99.310973
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -246.999514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.999514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.999514 (E_RNA)
where:
Base-Base interactions energy: -168.820
where: short stacking energy: -68.445
Base-Backbone interact. energy: -0.609
local terms energy: -77.569774
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.692
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -251.630010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.630010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.630010 (E_RNA)
where:
Base-Base interactions energy: -161.154
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.043
local terms energy: -90.433436
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -16.127
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: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -193.056351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056351 (E_RNA)
where:
Base-Base interactions energy: -114.284
where: short stacking energy: -49.183
Base-Backbone interact. energy: -0.249
local terms energy: -78.523067
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -196.567086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.567086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.567086 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.057
local terms energy: -72.176803
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -182.629298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.629298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.629298 (E_RNA)
where:
Base-Base interactions energy: -112.586
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.037
local terms energy: -70.006177
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -106.990589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.990589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.990589 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -36.640
Base-Backbone interact. energy: 0.598
local terms energy: -65.735709
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -135.403376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.403376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.403376 (E_RNA)
where:
Base-Base interactions energy: -65.547
where: short stacking energy: -42.735
Base-Backbone interact. energy: -0.306
local terms energy: -69.550268
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -96.514982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.514982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.514982 (E_RNA)
where:
Base-Base interactions energy: -42.082
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.439
local terms energy: -53.994268
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -288.167488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.167488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.167488 (E_RNA)
where:
Base-Base interactions energy: -190.898
where: short stacking energy: -88.326
Base-Backbone interact. energy: -0.461
local terms energy: -96.808157
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -18.964
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: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -276.066366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.066366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.066366 (E_RNA)
where:
Base-Base interactions energy: -174.977
where: short stacking energy: -76.294
Base-Backbone interact. energy: -0.162
local terms energy: -100.927164
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -25.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -233.585119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.585119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.585119 (E_RNA)
where:
Base-Base interactions energy: -154.355
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.173
local terms energy: -79.056651
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -258.200951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.200951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.200951 (E_RNA)
where:
Base-Base interactions energy: -175.660
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.211
local terms energy: -82.329949
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -212.212605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.212605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.212605 (E_RNA)
where:
Base-Base interactions energy: -127.461
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.110
local terms energy: -84.641828
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -189.799160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.799160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799160 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -63.952
Base-Backbone interact. energy: 2.260
local terms energy: -75.534526
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -159.649871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.649871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.649871 (E_RNA)
where:
Base-Base interactions energy: -81.678
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.520
local terms energy: -77.451053
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -113.946293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.946293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.946293 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -32.587
Base-Backbone interact. energy: 0.362
local terms energy: -68.275235
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -12.616
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: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -104.298189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.298189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.298189 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.291
local terms energy: -65.224746
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -105.850742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.850742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.850742 (E_RNA)
where:
Base-Base interactions energy: -56.970
where: short stacking energy: -12.854
Base-Backbone interact. energy: -0.128
local terms energy: -48.752721
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -278.505997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.505997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.505997 (E_RNA)
where:
Base-Base interactions energy: -185.984
where: short stacking energy: -85.223
Base-Backbone interact. energy: -1.555
local terms energy: -90.967006
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -238.215033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.215033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215033 (E_RNA)
where:
Base-Base interactions energy: -149.334
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.050
local terms energy: -88.831174
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -274.860334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.860334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.860334 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -84.309
Base-Backbone interact. energy: -0.197
local terms energy: -90.152765
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -13.041
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: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -225.817668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.817668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.817668 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -65.077
Base-Backbone interact. energy: -1.668
local terms energy: -88.746084
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -238.281618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.281618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.281618 (E_RNA)
where:
Base-Base interactions energy: -149.828
where: short stacking energy: -70.627
Base-Backbone interact. energy: -0.136
local terms energy: -88.317356
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -143.031214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.031214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.031214 (E_RNA)
where:
Base-Base interactions energy: -77.306
where: short stacking energy: -37.678
Base-Backbone interact. energy: 2.278
local terms energy: -68.002991
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -202.172334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172334 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -62.710
Base-Backbone interact. energy: -1.113
local terms energy: -71.964081
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -15.550
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: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -107.670227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.670227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.670227 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.368
local terms energy: -67.339262
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -2.229
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: 61
Temperature: 1.300000
Total energy: -107.120595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.120595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.120595 (E_RNA)
where:
Base-Base interactions energy: -38.611
where: short stacking energy: -33.624
Base-Backbone interact. energy: 0.336
local terms energy: -68.845273
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -9.837
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: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -89.969976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.969976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.969976 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.306
local terms energy: -55.477490
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -268.928764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.928764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.928764 (E_RNA)
where:
Base-Base interactions energy: -172.793
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.142
local terms energy: -95.994067
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -22.676
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: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -289.517268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.517268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.517268 (E_RNA)
where:
Base-Base interactions energy: -192.414
where: short stacking energy: -85.729
Base-Backbone interact. energy: -1.597
local terms energy: -95.506516
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -251.153123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.153123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.153123 (E_RNA)
where:
Base-Base interactions energy: -161.406
where: short stacking energy: -70.868
Base-Backbone interact. energy: -1.019
local terms energy: -88.728284
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -263.059195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.059195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.059195 (E_RNA)
where:
Base-Base interactions energy: -172.420
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.713
local terms energy: -89.926701
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -263.937173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.937173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.937173 (E_RNA)
where:
Base-Base interactions energy: -177.948
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.264
local terms energy: -85.725397
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -157.913437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.913437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.913437 (E_RNA)
where:
Base-Base interactions energy: -89.568
where: short stacking energy: -44.263
Base-Backbone interact. energy: -0.148
local terms energy: -68.196944
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -202.855565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.855565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.855565 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -65.628
Base-Backbone interact. energy: -0.206
local terms energy: -80.085118
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -106.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.125733 (E_RNA)
where:
Base-Base interactions energy: -40.523
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.215
local terms energy: -65.388474
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -111.624057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.624057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.624057 (E_RNA)
where:
Base-Base interactions energy: -48.722
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.275
local terms energy: -62.627050
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -95.812796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.812796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.812796 (E_RNA)
where:
Base-Base interactions energy: -40.963
where: short stacking energy: -15.338
Base-Backbone interact. energy: 1.085
local terms energy: -55.934581
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -270.129626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.129626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.129626 (E_RNA)
where:
Base-Base interactions energy: -178.973
where: short stacking energy: -85.732
Base-Backbone interact. energy: -0.328
local terms energy: -90.828680
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -12.511
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: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -279.806998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.806998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.806998 (E_RNA)
where:
Base-Base interactions energy: -191.919
where: short stacking energy: -83.892
Base-Backbone interact. energy: -0.144
local terms energy: -87.744287
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -266.946630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.946630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.946630 (E_RNA)
where:
Base-Base interactions energy: -173.293
where: short stacking energy: -73.525
Base-Backbone interact. energy: 0.816
local terms energy: -94.470155
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -274.376100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.376100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.376100 (E_RNA)
where:
Base-Base interactions energy: -191.890
where: short stacking energy: -83.934
Base-Backbone interact. energy: 1.369
local terms energy: -83.854915
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -267.883259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.883259 (E_RNA)
where:
Base-Base interactions energy: -181.083
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.108
local terms energy: -86.692308
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -22.864
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: 63
Temperature: 1.150000
Total energy: -167.792045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.792045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.792045 (E_RNA)
where:
Base-Base interactions energy: -93.049
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.422
local terms energy: -74.321018
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -189.935313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.935313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.935313 (E_RNA)
where:
Base-Base interactions energy: -111.664
where: short stacking energy: -45.953
Base-Backbone interact. energy: -0.198
local terms energy: -78.073168
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -108.642188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.642188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.642188 (E_RNA)
where:
Base-Base interactions energy: -38.221
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.411
local terms energy: -70.010683
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -100.144088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144088 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -27.476
Base-Backbone interact. energy: -0.017
local terms energy: -61.333071
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.508
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: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -95.077779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.077779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.077779 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.257
local terms energy: -51.615533
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -293.083595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.083595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.083595 (E_RNA)
where:
Base-Base interactions energy: -194.602
where: short stacking energy: -80.601
Base-Backbone interact. energy: 0.248
local terms energy: -98.729879
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -266.531449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.531449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.531449 (E_RNA)
where:
Base-Base interactions energy: -175.760
where: short stacking energy: -75.140
Base-Backbone interact. energy: 0.076
local terms energy: -90.847319
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -280.044094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.044094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.044094 (E_RNA)
where:
Base-Base interactions energy: -194.405
where: short stacking energy: -85.152
Base-Backbone interact. energy: 1.870
local terms energy: -87.508465
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -24.830
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -246.384688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.384688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.384688 (E_RNA)
where:
Base-Base interactions energy: -162.513
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.227
local terms energy: -83.644670
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -272.045752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.045752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.045752 (E_RNA)
where:
Base-Base interactions energy: -187.353
where: short stacking energy: -80.719
Base-Backbone interact. energy: 2.667
local terms energy: -87.359679
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -14.147
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: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -164.240340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.240340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.240340 (E_RNA)
where:
Base-Base interactions energy: -89.981
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.829
local terms energy: -73.429537
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -232.871569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.871569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.871569 (E_RNA)
where:
Base-Base interactions energy: -153.013
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.185
local terms energy: -79.673135
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -122.081225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.081225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.081225 (E_RNA)
where:
Base-Base interactions energy: -58.471
where: short stacking energy: -38.002
Base-Backbone interact. energy: -0.386
local terms energy: -63.223978
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -94.223282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.223282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.223282 (E_RNA)
where:
Base-Base interactions energy: -43.540
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.534
local terms energy: -50.148874
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -93.535667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.535667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.535667 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -34.209
Base-Backbone interact. energy: 2.218
local terms energy: -60.083724
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -4.547
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: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -287.293667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.293667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.293667 (E_RNA)
where:
Base-Base interactions energy: -196.934
where: short stacking energy: -86.565
Base-Backbone interact. energy: 1.329
local terms energy: -91.688414
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -281.783803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.783803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.783803 (E_RNA)
where:
Base-Base interactions energy: -188.874
where: short stacking energy: -85.260
Base-Backbone interact. energy: 1.312
local terms energy: -94.222061
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -20.289
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: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -257.080971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.080971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.080971 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -69.999
Base-Backbone interact. energy: 0.097
local terms energy: -84.459081
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -282.084856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.084856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.084856 (E_RNA)
where:
Base-Base interactions energy: -189.912
where: short stacking energy: -80.322
Base-Backbone interact. energy: -0.130
local terms energy: -92.043196
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -265.103878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.103878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.103878 (E_RNA)
where:
Base-Base interactions energy: -182.001
where: short stacking energy: -77.954
Base-Backbone interact. energy: -0.127
local terms energy: -82.976401
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -20.685
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: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -240.585325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.585325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.585325 (E_RNA)
where:
Base-Base interactions energy: -162.694
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.117
local terms energy: -77.774902
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -142.061089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.061089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.061089 (E_RNA)
where:
Base-Base interactions energy: -75.602
where: short stacking energy: -30.625
Base-Backbone interact. energy: -0.665
local terms energy: -65.793845
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -103.828090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.828090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.828090 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -26.086
Base-Backbone interact. energy: -0.271
local terms energy: -58.361639
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -11.964
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: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -92.498203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498203 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -22.791
Base-Backbone interact. energy: -1.060
local terms energy: -60.231567
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -103.447353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.447353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.447353 (E_RNA)
where:
Base-Base interactions energy: -40.342
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.085
local terms energy: -63.020064
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -287.912757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.912757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.912757 (E_RNA)
where:
Base-Base interactions energy: -193.665
where: short stacking energy: -83.202
Base-Backbone interact. energy: 0.710
local terms energy: -94.957961
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -284.357971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.357971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.357971 (E_RNA)
where:
Base-Base interactions energy: -189.427
where: short stacking energy: -81.644
Base-Backbone interact. energy: 0.025
local terms energy: -94.956001
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -283.165218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.165218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.165218 (E_RNA)
where:
Base-Base interactions energy: -187.775
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.257
local terms energy: -95.133235
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -23.102
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: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -256.275219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.275219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.275219 (E_RNA)
where:
Base-Base interactions energy: -172.399
where: short stacking energy: -72.591
Base-Backbone interact. energy: 1.491
local terms energy: -85.366473
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -252.461081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.461081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.461081 (E_RNA)
where:
Base-Base interactions energy: -172.557
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.115
local terms energy: -79.789096
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.584
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -251.121084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.121084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.121084 (E_RNA)
where:
Base-Base interactions energy: -171.154
where: short stacking energy: -66.715
Base-Backbone interact. energy: -0.266
local terms energy: -79.700700
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -113.628900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.628900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.628900 (E_RNA)
where:
Base-Base interactions energy: -61.343
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.359
local terms energy: -51.927457
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -2.323
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: 66
Temperature: 1.250000
Total energy: -105.552742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.552742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.552742 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.150
local terms energy: -66.599234
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -9.492
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: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -102.910979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910979 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.108
local terms energy: -57.874184
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -96.453826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.453826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.453826 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -33.340
Base-Backbone interact. energy: -0.336
local terms energy: -62.777645
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -290.986596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.986596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.986596 (E_RNA)
where:
Base-Base interactions energy: -197.277
where: short stacking energy: -79.485
Base-Backbone interact. energy: -0.239
local terms energy: -93.471224
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -281.940705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.940705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.940705 (E_RNA)
where:
Base-Base interactions energy: -189.291
where: short stacking energy: -85.481
Base-Backbone interact. energy: -0.714
local terms energy: -91.935770
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -23.470
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: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -289.119922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.119922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.119922 (E_RNA)
where:
Base-Base interactions energy: -193.223
where: short stacking energy: -84.897
Base-Backbone interact. energy: -0.711
local terms energy: -95.185482
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -13.371
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -259.560138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.560138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.560138 (E_RNA)
where:
Base-Base interactions energy: -166.328
where: short stacking energy: -70.236
Base-Backbone interact. energy: -0.775
local terms energy: -92.456605
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.688
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: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -243.725797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.725797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.725797 (E_RNA)
where:
Base-Base interactions energy: -159.415
where: short stacking energy: -63.544
Base-Backbone interact. energy: 1.675
local terms energy: -85.986064
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -14.126
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: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -261.387188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.387188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.387188 (E_RNA)
where:
Base-Base interactions energy: -177.936
where: short stacking energy: -77.448
Base-Backbone interact. energy: -0.037
local terms energy: -83.414124
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -122.853185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.853185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.853185 (E_RNA)
where:
Base-Base interactions energy: -53.723
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.172
local terms energy: -68.958810
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -92.832901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832901 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.393
local terms energy: -56.285359
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 1.923
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: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -114.534209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.534209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.534209 (E_RNA)
where:
Base-Base interactions energy: -56.769
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.105
local terms energy: -57.659947
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -104.109186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109186 (E_RNA)
where:
Base-Base interactions energy: -39.685
where: short stacking energy: -28.215
Base-Backbone interact. energy: -1.311
local terms energy: -63.113287
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -290.013791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.013791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.013791 (E_RNA)
where:
Base-Base interactions energy: -197.274
where: short stacking energy: -86.642
Base-Backbone interact. energy: -0.782
local terms energy: -91.957875
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -23.860
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: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -291.048963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.048963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.048963 (E_RNA)
where:
Base-Base interactions energy: -197.794
where: short stacking energy: -84.434
Base-Backbone interact. energy: -2.229
local terms energy: -91.026223
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -285.932173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.932173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.932173 (E_RNA)
where:
Base-Base interactions energy: -198.515
where: short stacking energy: -85.716
Base-Backbone interact. energy: 0.478
local terms energy: -87.894608
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -23.293
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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -264.245116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.245116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.245116 (E_RNA)
where:
Base-Base interactions energy: -172.128
where: short stacking energy: -78.504
Base-Backbone interact. energy: -1.098
local terms energy: -91.018733
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -249.654184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.654184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.654184 (E_RNA)
where:
Base-Base interactions energy: -172.378
where: short stacking energy: -70.034
Base-Backbone interact. energy: 0.115
local terms energy: -77.391605
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -247.280813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.280813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.280813 (E_RNA)
where:
Base-Base interactions energy: -165.356
where: short stacking energy: -74.872
Base-Backbone interact. energy: 1.574
local terms energy: -83.497958
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -112.964302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.964302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.964302 (E_RNA)
where:
Base-Base interactions energy: -56.290
where: short stacking energy: -39.172
Base-Backbone interact. energy: 0.127
local terms energy: -56.801702
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -107.671537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.671537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.671537 (E_RNA)
where:
Base-Base interactions energy: -45.777
where: short stacking energy: -35.381
Base-Backbone interact. energy: -0.242
local terms energy: -61.652542
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -96.224891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.224891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.224891 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -26.227
Base-Backbone interact. energy: -0.893
local terms energy: -55.569415
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -95.655378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.655378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.655378 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -27.958
Base-Backbone interact. energy: 2.836
local terms energy: -65.116605
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -291.037599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.037599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.037599 (E_RNA)
where:
Base-Base interactions energy: -196.696
where: short stacking energy: -85.502
Base-Backbone interact. energy: -0.009
local terms energy: -94.333100
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -295.929630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.929630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.929630 (E_RNA)
where:
Base-Base interactions energy: -196.783
where: short stacking energy: -88.005
Base-Backbone interact. energy: -0.422
local terms energy: -98.724050
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -25.597
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: 69
Temperature: 1.000000
Total energy: -281.877757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.877757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.877757 (E_RNA)
where:
Base-Base interactions energy: -189.612
where: short stacking energy: -80.137
Base-Backbone interact. energy: -1.167
local terms energy: -91.098030
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -23.021
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: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -251.318685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.318685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.318685 (E_RNA)
where:
Base-Base interactions energy: -177.984
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.148
local terms energy: -73.186891
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.666
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: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -269.112028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.112028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.112028 (E_RNA)
where:
Base-Base interactions energy: -188.274
where: short stacking energy: -80.081
Base-Backbone interact. energy: -0.715
local terms energy: -80.123253
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -248.621379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.621379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.621379 (E_RNA)
where:
Base-Base interactions energy: -166.298
where: short stacking energy: -72.866
Base-Backbone interact. energy: 0.018
local terms energy: -82.341011
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -19.109
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -165.111524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.111524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.111524 (E_RNA)
where:
Base-Base interactions energy: -96.072
where: short stacking energy: -44.319
Base-Backbone interact. energy: -0.471
local terms energy: -68.568634
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -130.535535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.535535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.535535 (E_RNA)
where:
Base-Base interactions energy: -69.607
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.079
local terms energy: -60.849315
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -86.719702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.719702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.719702 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.944
local terms energy: -53.361363
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.811
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: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -96.620405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620405 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.415
local terms energy: -55.950200
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: 0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -277.404571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.404571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.404571 (E_RNA)
where:
Base-Base interactions energy: -185.386
where: short stacking energy: -77.961
Base-Backbone interact. energy: -0.008
local terms energy: -92.010120
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -286.788147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.788147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.788147 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -81.789
Base-Backbone interact. energy: -0.100
local terms energy: -91.962615
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -290.065990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.065990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.065990 (E_RNA)
where:
Base-Base interactions energy: -191.220
where: short stacking energy: -81.968
Base-Backbone interact. energy: -0.496
local terms energy: -98.350942
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -24.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -253.990348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.990348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.990348 (E_RNA)
where:
Base-Base interactions energy: -166.722
where: short stacking energy: -67.817
Base-Backbone interact. energy: 1.088
local terms energy: -88.355970
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -268.937237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.937237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.937237 (E_RNA)
where:
Base-Base interactions energy: -186.955
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.002
local terms energy: -81.980500
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -253.300021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.300021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.300021 (E_RNA)
where:
Base-Base interactions energy: -176.306
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.093
local terms energy: -76.901509
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -145.488896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.488896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.488896 (E_RNA)
where:
Base-Base interactions energy: -72.653
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.127
local terms energy: -72.708779
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -158.542511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.542511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.542511 (E_RNA)
where:
Base-Base interactions energy: -88.989
where: short stacking energy: -40.766
Base-Backbone interact. energy: 0.722
local terms energy: -70.275911
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -102.061151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.061151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.061151 (E_RNA)
where:
Base-Base interactions energy: -32.292
where: short stacking energy: -30.814
Base-Backbone interact. energy: -0.230
local terms energy: -69.539442
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -98.513911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.513911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.513911 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -27.409
Base-Backbone interact. energy: 2.089
local terms energy: -64.773749
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -290.676308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.676308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.676308 (E_RNA)
where:
Base-Base interactions energy: -198.526
where: short stacking energy: -91.215
Base-Backbone interact. energy: -0.396
local terms energy: -91.754087
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -286.443231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.443231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.443231 (E_RNA)
where:
Base-Base interactions energy: -200.763
where: short stacking energy: -85.128
Base-Backbone interact. energy: -0.121
local terms energy: -85.559428
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -287.875296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.875296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.875296 (E_RNA)
where:
Base-Base interactions energy: -196.951
where: short stacking energy: -86.472
Base-Backbone interact. energy: -0.393
local terms energy: -90.531506
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -277.941120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.941120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.941120 (E_RNA)
where:
Base-Base interactions energy: -183.126
where: short stacking energy: -81.654
Base-Backbone interact. energy: -1.056
local terms energy: -93.759026
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -23.743
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: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -269.486931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.486931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.486931 (E_RNA)
where:
Base-Base interactions energy: -180.747
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.796
local terms energy: -87.943667
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -250.205677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.205677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.205677 (E_RNA)
where:
Base-Base interactions energy: -165.344
where: short stacking energy: -77.483
Base-Backbone interact. energy: -0.152
local terms energy: -84.709981
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -139.445216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.445216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.445216 (E_RNA)
where:
Base-Base interactions energy: -67.829
where: short stacking energy: -36.796
Base-Backbone interact. energy: -0.400
local terms energy: -71.216704
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -175.150070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.150070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.150070 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -41.447
Base-Backbone interact. energy: -0.527
local terms energy: -66.744555
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -93.447642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.447642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.447642 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.494
local terms energy: -59.608282
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -87.447459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447459 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.630
Base-Backbone interact. energy: -0.278
local terms energy: -54.446213
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -285.024359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.024359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.024359 (E_RNA)
where:
Base-Base interactions energy: -195.572
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.053
local terms energy: -89.398879
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -280.908120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.908120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.908120 (E_RNA)
where:
Base-Base interactions energy: -185.018
where: short stacking energy: -79.965
Base-Backbone interact. energy: -0.057
local terms energy: -95.832627
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -9.924
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: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -275.075396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.075396 (E_RNA)
where:
Base-Base interactions energy: -191.313
where: short stacking energy: -82.233
Base-Backbone interact. energy: -0.059
local terms energy: -83.702956
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -283.170908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.170908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.170908 (E_RNA)
where:
Base-Base interactions energy: -190.969
where: short stacking energy: -80.223
Base-Backbone interact. energy: -0.127
local terms energy: -92.074488
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -243.919764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.919764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.919764 (E_RNA)
where:
Base-Base interactions energy: -161.319
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.038
local terms energy: -82.562162
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -14.193
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -212.334675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.334675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.334675 (E_RNA)
where:
Base-Base interactions energy: -137.934
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.507
local terms energy: -73.893284
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -145.513081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.513081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.513081 (E_RNA)
where:
Base-Base interactions energy: -78.112
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.652
local terms energy: -66.748831
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -115.574944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.574944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.574944 (E_RNA)
where:
Base-Base interactions energy: -56.485
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.072
local terms energy: -59.017836
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -5.243
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: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.631367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.631367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.631367 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -39.394
Base-Backbone interact. energy: -0.018
local terms energy: -58.642189
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -4.885
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -104.516039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516039 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -41.362
Base-Backbone interact. energy: -0.077
local terms energy: -58.653909
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -289.575333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.575333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.575333 (E_RNA)
where:
Base-Base interactions energy: -199.475
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.700
local terms energy: -89.400859
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -21.248
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: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -276.856510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.856510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.856510 (E_RNA)
where:
Base-Base interactions energy: -183.793
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.415
local terms energy: -92.648257
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -26.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -279.343996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.343996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.343996 (E_RNA)
where:
Base-Base interactions energy: -182.829
where: short stacking energy: -76.747
Base-Backbone interact. energy: -0.011
local terms energy: -96.503574
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -247.245971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.245971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.245971 (E_RNA)
where:
Base-Base interactions energy: -169.954
where: short stacking energy: -67.406
Base-Backbone interact. energy: 0.595
local terms energy: -77.887347
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -256.002451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.002451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.002451 (E_RNA)
where:
Base-Base interactions energy: -164.122
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.244
local terms energy: -91.635642
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -21.651
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -235.126049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.126049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.126049 (E_RNA)
where:
Base-Base interactions energy: -150.438
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.949
local terms energy: -83.739110
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -17.178
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: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -140.224386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.224386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.224386 (E_RNA)
where:
Base-Base interactions energy: -67.662
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.282
local terms energy: -72.280516
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -104.851917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.851917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.851917 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -35.966
Base-Backbone interact. energy: 2.554
local terms energy: -64.636714
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -98.969290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.969290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.969290 (E_RNA)
where:
Base-Base interactions energy: -53.070
where: short stacking energy: -31.000
Base-Backbone interact. energy: -0.034
local terms energy: -45.865670
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: 1.151
tors. eta vs tors. theta energy: 1.507
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: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -97.152933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.152933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.152933 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.823
local terms energy: -60.824825
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -286.167581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.167581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.167581 (E_RNA)
where:
Base-Base interactions energy: -192.346
where: short stacking energy: -82.564
Base-Backbone interact. energy: 0.694
local terms energy: -94.515338
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -24.641
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: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -275.854217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.854217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.854217 (E_RNA)
where:
Base-Base interactions energy: -187.017
where: short stacking energy: -78.946
Base-Backbone interact. energy: -0.102
local terms energy: -88.735760
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -284.424487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.424487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.424487 (E_RNA)
where:
Base-Base interactions energy: -196.205
where: short stacking energy: -78.978
Base-Backbone interact. energy: -0.822
local terms energy: -87.397451
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.924
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: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -247.578930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.578930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.578930 (E_RNA)
where:
Base-Base interactions energy: -159.255
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.463
local terms energy: -87.861426
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -221.654750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654750 (E_RNA)
where:
Base-Base interactions energy: -136.203
where: short stacking energy: -71.245
Base-Backbone interact. energy: -0.075
local terms energy: -85.377468
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -253.627353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.627353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.627353 (E_RNA)
where:
Base-Base interactions energy: -163.306
where: short stacking energy: -76.898
Base-Backbone interact. energy: 0.243
local terms energy: -90.564621
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -149.881953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.881953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.881953 (E_RNA)
where:
Base-Base interactions energy: -78.552
where: short stacking energy: -56.886
Base-Backbone interact. energy: 0.359
local terms energy: -71.688236
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -139.234249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.234249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.234249 (E_RNA)
where:
Base-Base interactions energy: -74.666
where: short stacking energy: -50.129
Base-Backbone interact. energy: 6.419
local terms energy: -70.987605
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -95.198871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.198871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.198871 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.070
local terms energy: -57.955622
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -101.568064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.568064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.568064 (E_RNA)
where:
Base-Base interactions energy: -46.888
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.793
local terms energy: -53.887513
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -294.904000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.904000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.904000 (E_RNA)
where:
Base-Base interactions energy: -191.680
where: short stacking energy: -77.597
Base-Backbone interact. energy: -0.671
local terms energy: -102.552977
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -24.613
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: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -284.566983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.566983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.566983 (E_RNA)
where:
Base-Base interactions energy: -191.865
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.114
local terms energy: -92.588719
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -14.750
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -275.231879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.231879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.231879 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -81.196
Base-Backbone interact. energy: -0.364
local terms energy: -83.980260
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -245.270106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270106 (E_RNA)
where:
Base-Base interactions energy: -162.558
where: short stacking energy: -71.176
Base-Backbone interact. energy: 1.700
local terms energy: -84.412373
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.870
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -237.255724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.255724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.255724 (E_RNA)
where:
Base-Base interactions energy: -160.110
where: short stacking energy: -80.948
Base-Backbone interact. energy: -0.272
local terms energy: -76.873489
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -14.594
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -252.781701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.781701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.781701 (E_RNA)
where:
Base-Base interactions energy: -163.727
where: short stacking energy: -64.917
Base-Backbone interact. energy: 0.277
local terms energy: -89.331891
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -22.747
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: 75
Temperature: 1.200000
Total energy: -161.288770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.288770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.288770 (E_RNA)
where:
Base-Base interactions energy: -83.917
where: short stacking energy: -50.976
Base-Backbone interact. energy: 0.653
local terms energy: -78.025125
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -136.137958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.137958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.137958 (E_RNA)
where:
Base-Base interactions energy: -59.834
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.149
local terms energy: -76.154223
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -98.671085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.671085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.671085 (E_RNA)
where:
Base-Base interactions energy: -44.634
where: short stacking energy: -28.964
Base-Backbone interact. energy: -0.212
local terms energy: -53.825140
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -97.080196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080196 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -24.121
Base-Backbone interact. energy: -0.198
local terms energy: -67.192680
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -291.095339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.095339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.095339 (E_RNA)
where:
Base-Base interactions energy: -199.800
where: short stacking energy: -86.106
Base-Backbone interact. energy: 0.187
local terms energy: -91.483064
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -26.469
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: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -277.575707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.575707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.575707 (E_RNA)
where:
Base-Base interactions energy: -183.823
where: short stacking energy: -77.371
Base-Backbone interact. energy: -0.029
local terms energy: -93.723880
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -267.198163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.198163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.198163 (E_RNA)
where:
Base-Base interactions energy: -184.763
where: short stacking energy: -83.472
Base-Backbone interact. energy: -1.417
local terms energy: -81.018329
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -235.401030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.401030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.401030 (E_RNA)
where:
Base-Base interactions energy: -150.954
where: short stacking energy: -54.967
Base-Backbone interact. energy: -0.329
local terms energy: -84.118086
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -246.986670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.986670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.986670 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.120
local terms energy: -83.704524
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -215.500493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.500493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.500493 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -63.717
Base-Backbone interact. energy: 0.137
local terms energy: -81.433893
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -152.774698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.774698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.774698 (E_RNA)
where:
Base-Base interactions energy: -82.328
where: short stacking energy: -39.665
Base-Backbone interact. energy: -0.351
local terms energy: -70.095454
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -166.298039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.298039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.298039 (E_RNA)
where:
Base-Base interactions energy: -99.996
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.066
local terms energy: -66.236124
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -97.288379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.288379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.288379 (E_RNA)
where:
Base-Base interactions energy: -46.508
where: short stacking energy: -21.244
Base-Backbone interact. energy: 0.225
local terms energy: -51.005498
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -90.260030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.260030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.260030 (E_RNA)
where:
Base-Base interactions energy: -28.746
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.138
local terms energy: -61.375348
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -300.783542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.783542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.783542 (E_RNA)
where:
Base-Base interactions energy: -198.249
where: short stacking energy: -81.114
Base-Backbone interact. energy: 0.687
local terms energy: -103.221769
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -27.724
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: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -288.632833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.632833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.632833 (E_RNA)
where:
Base-Base interactions energy: -197.860
where: short stacking energy: -82.946
Base-Backbone interact. energy: -0.007
local terms energy: -90.766003
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -286.116596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.116596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.116596 (E_RNA)
where:
Base-Base interactions energy: -194.793
where: short stacking energy: -83.957
Base-Backbone interact. energy: -0.104
local terms energy: -91.219488
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -15.267
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: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -294.319180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.319180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.319180 (E_RNA)
where:
Base-Base interactions energy: -196.339
where: short stacking energy: -87.765
Base-Backbone interact. energy: -1.228
local terms energy: -96.752645
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -27.260
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: 77
Temperature: 1.100000
Total energy: -217.613535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.613535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.613535 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.240
local terms energy: -75.730717
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -224.415679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.415679 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.037
local terms energy: -85.517400
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -148.199357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.199357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.199357 (E_RNA)
where:
Base-Base interactions energy: -80.038
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.021
local terms energy: -68.140303
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -140.786549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.786549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.786549 (E_RNA)
where:
Base-Base interactions energy: -80.753
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.380
local terms energy: -59.654460
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -6.409
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: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -95.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002152 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -28.775
Base-Backbone interact. energy: -0.534
local terms energy: -52.391150
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -88.633230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.633230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.633230 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.137
local terms energy: -60.862376
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -299.023524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.023524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.023524 (E_RNA)
where:
Base-Base interactions energy: -200.960
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.992
local terms energy: -97.070899
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -26.307
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -286.088539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.088539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.088539 (E_RNA)
where:
Base-Base interactions energy: -191.414
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.217
local terms energy: -94.457141
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -279.653194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.653194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.653194 (E_RNA)
where:
Base-Base interactions energy: -189.158
where: short stacking energy: -84.327
Base-Backbone interact. energy: -0.162
local terms energy: -90.333134
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -272.382839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.382839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.382839 (E_RNA)
where:
Base-Base interactions energy: -176.677
where: short stacking energy: -74.901
Base-Backbone interact. energy: 0.484
local terms energy: -96.190279
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -218.991399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.991399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.991399 (E_RNA)
where:
Base-Base interactions energy: -137.744
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.404
local terms energy: -80.843421
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -199.086516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.086516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.086516 (E_RNA)
where:
Base-Base interactions energy: -120.863
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.348
local terms energy: -77.874840
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -147.397294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.397294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.397294 (E_RNA)
where:
Base-Base interactions energy: -78.849
where: short stacking energy: -45.779
Base-Backbone interact. energy: -0.210
local terms energy: -68.337757
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -140.981110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.981110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.981110 (E_RNA)
where:
Base-Base interactions energy: -78.680
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.056
local terms energy: -62.244557
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -5.660
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: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -96.221926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221926 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -29.952
Base-Backbone interact. energy: 0.282
local terms energy: -63.372508
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -91.625356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625356 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -30.807
Base-Backbone interact. energy: 0.116
local terms energy: -51.648493
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -295.134802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.134802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.134802 (E_RNA)
where:
Base-Base interactions energy: -204.435
where: short stacking energy: -84.032
Base-Backbone interact. energy: -1.254
local terms energy: -89.446506
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -291.613692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.613692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.613692 (E_RNA)
where:
Base-Base interactions energy: -198.352
where: short stacking energy: -85.185
Base-Backbone interact. energy: -0.073
local terms energy: -93.188626
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -279.245501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.245501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.245501 (E_RNA)
where:
Base-Base interactions energy: -190.107
where: short stacking energy: -77.163
Base-Backbone interact. energy: -1.685
local terms energy: -87.453294
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -271.766214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.766214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.766214 (E_RNA)
where:
Base-Base interactions energy: -182.843
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.678
local terms energy: -88.245698
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -22.376
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: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -240.465637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.465637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.465637 (E_RNA)
where:
Base-Base interactions energy: -159.343
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.002
local terms energy: -81.120057
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -20.975
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: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -216.379542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.379542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.379542 (E_RNA)
where:
Base-Base interactions energy: -149.497
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.095
local terms energy: -66.787442
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -150.839617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.839617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.839617 (E_RNA)
where:
Base-Base interactions energy: -80.118
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.216
local terms energy: -70.505380
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -11.765
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: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -156.314111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.314111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.314111 (E_RNA)
where:
Base-Base interactions energy: -93.062
where: short stacking energy: -48.529
Base-Backbone interact. energy: -0.309
local terms energy: -62.943486
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -113.856309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.856309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.856309 (E_RNA)
where:
Base-Base interactions energy: -60.324
where: short stacking energy: -30.067
Base-Backbone interact. energy: -2.688
local terms energy: -50.844623
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -93.726130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.726130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.726130 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -20.593
Base-Backbone interact. energy: -0.295
local terms energy: -56.186775
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 0.566
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: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -293.348597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.348597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.348597 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -86.449
Base-Backbone interact. energy: -0.985
local terms energy: -94.880723
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -291.695767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.695767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.695767 (E_RNA)
where:
Base-Base interactions energy: -195.411
where: short stacking energy: -84.780
Base-Backbone interact. energy: -0.112
local terms energy: -96.173385
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -25.080
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: 80
Temperature: 1.000000
Total energy: -279.435280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.435280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.435280 (E_RNA)
where:
Base-Base interactions energy: -192.067
where: short stacking energy: -75.082
Base-Backbone interact. energy: 0.131
local terms energy: -87.499126
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.497
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: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -276.566191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.566191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.566191 (E_RNA)
where:
Base-Base interactions energy: -186.169
where: short stacking energy: -79.103
Base-Backbone interact. energy: -0.020
local terms energy: -90.377222
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -215.364635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364635 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.072
local terms energy: -77.774876
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -204.650485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.650485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.650485 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.310
local terms energy: -66.591318
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.905
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: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -171.211358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.211358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.211358 (E_RNA)
where:
Base-Base interactions energy: -89.608
where: short stacking energy: -41.969
Base-Backbone interact. energy: -0.515
local terms energy: -81.088292
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -138.897116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.897116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.897116 (E_RNA)
where:
Base-Base interactions energy: -77.617
where: short stacking energy: -43.129
Base-Backbone interact. energy: -0.256
local terms energy: -61.024101
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.546515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.546515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.546515 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -35.578
Base-Backbone interact. energy: -0.080
local terms energy: -60.888657
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -5.831
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: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -90.712705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.712705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.712705 (E_RNA)
where:
Base-Base interactions energy: -27.351
where: short stacking energy: -24.117
Base-Backbone interact. energy: 0.702
local terms energy: -64.063678
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: 0.566
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: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -294.606786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.606786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.606786 (E_RNA)
where:
Base-Base interactions energy: -188.853
where: short stacking energy: -79.759
Base-Backbone interact. energy: -2.167
local terms energy: -103.586297
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -16.788
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: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -287.555140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.555140 (E_RNA)
where:
Base-Base interactions energy: -192.588
where: short stacking energy: -82.073
Base-Backbone interact. energy: -0.213
local terms energy: -94.753538
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -23.758
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -291.826145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.826145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.826145 (E_RNA)
where:
Base-Base interactions energy: -196.883
where: short stacking energy: -82.048
Base-Backbone interact. energy: -0.870
local terms energy: -94.073291
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -23.263
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -277.318990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.318990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.318990 (E_RNA)
where:
Base-Base interactions energy: -186.032
where: short stacking energy: -77.265
Base-Backbone interact. energy: -0.118
local terms energy: -91.168576
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -221.152925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152925 (E_RNA)
where:
Base-Base interactions energy: -135.928
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.001
local terms energy: -85.224175
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -201.480965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.480965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.480965 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.405
local terms energy: -69.566893
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -159.542250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.542250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.542250 (E_RNA)
where:
Base-Base interactions energy: -89.531
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.055
local terms energy: -69.956009
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -177.582552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.582552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.582552 (E_RNA)
where:
Base-Base interactions energy: -104.353
where: short stacking energy: -40.207
Base-Backbone interact. energy: 0.130
local terms energy: -73.359790
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -109.401422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.401422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.401422 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -25.131
Base-Backbone interact. energy: -0.986
local terms energy: -63.482090
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -93.071099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071099 (E_RNA)
where:
Base-Base interactions energy: -35.562
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.020
local terms energy: -57.488917
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -296.252454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.252454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.252454 (E_RNA)
where:
Base-Base interactions energy: -198.595
where: short stacking energy: -86.550
Base-Backbone interact. energy: -0.062
local terms energy: -97.595519
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -22.307
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -287.275785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.275785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.275785 (E_RNA)
where:
Base-Base interactions energy: -198.022
where: short stacking energy: -84.243
Base-Backbone interact. energy: -0.187
local terms energy: -89.067037
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -23.983
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: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -292.564074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.564074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.564074 (E_RNA)
where:
Base-Base interactions energy: -201.544
where: short stacking energy: -85.263
Base-Backbone interact. energy: -0.130
local terms energy: -90.890508
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -13.880
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -276.211693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.211693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.211693 (E_RNA)
where:
Base-Base interactions energy: -183.655
where: short stacking energy: -73.891
Base-Backbone interact. energy: -0.028
local terms energy: -92.528569
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -206.189487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.189487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.189487 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -46.542
Base-Backbone interact. energy: -0.605
local terms energy: -67.362013
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -240.544325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.544325 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -63.855
Base-Backbone interact. energy: 0.120
local terms energy: -84.193169
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -187.258385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.258385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.258385 (E_RNA)
where:
Base-Base interactions energy: -120.542
where: short stacking energy: -53.099
Base-Backbone interact. energy: -0.740
local terms energy: -65.976473
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -8.801
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: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -148.621883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.621883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.621883 (E_RNA)
where:
Base-Base interactions energy: -77.743
where: short stacking energy: -45.617
Base-Backbone interact. energy: -0.301
local terms energy: -70.577456
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -115.048146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.048146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.048146 (E_RNA)
where:
Base-Base interactions energy: -52.073
where: short stacking energy: -34.037
Base-Backbone interact. energy: 1.475
local terms energy: -64.449523
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -128.664412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.664412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.664412 (E_RNA)
where:
Base-Base interactions energy: -66.632
where: short stacking energy: -21.555
Base-Backbone interact. energy: -0.111
local terms energy: -61.920977
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -292.610344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.610344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.610344 (E_RNA)
where:
Base-Base interactions energy: -193.127
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.064
local terms energy: -99.419548
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -23.799
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: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -296.218293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.218293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.218293 (E_RNA)
where:
Base-Base interactions energy: -199.114
where: short stacking energy: -90.333
Base-Backbone interact. energy: -0.104
local terms energy: -96.999391
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -270.423129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.423129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.423129 (E_RNA)
where:
Base-Base interactions energy: -184.213
where: short stacking energy: -81.108
Base-Backbone interact. energy: -1.068
local terms energy: -85.141502
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -263.829279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.829279 (E_RNA)
where:
Base-Base interactions energy: -174.866
where: short stacking energy: -75.090
Base-Backbone interact. energy: -0.305
local terms energy: -88.657739
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -12.127
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: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -238.303480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.303480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.303480 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -75.406
Base-Backbone interact. energy: -0.067
local terms energy: -87.166018
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -23.516
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: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -249.214737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.214737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.214737 (E_RNA)
where:
Base-Base interactions energy: -158.190
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.052
local terms energy: -90.972764
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -9.194
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: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -215.905955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.905955 (E_RNA)
where:
Base-Base interactions energy: -141.840
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.153
local terms energy: -73.912666
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -147.625692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.625692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.625692 (E_RNA)
where:
Base-Base interactions energy: -82.557
where: short stacking energy: -44.914
Base-Backbone interact. energy: 0.444
local terms energy: -65.513091
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -96.421647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421647 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -29.784
Base-Backbone interact. energy: -1.341
local terms energy: -53.324521
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -104.491918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.491918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.491918 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -19.178
Base-Backbone interact. energy: -0.256
local terms energy: -70.388133
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -295.034235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.034235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.034235 (E_RNA)
where:
Base-Base interactions energy: -195.670
where: short stacking energy: -85.471
Base-Backbone interact. energy: -0.953
local terms energy: -98.411505
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -288.882128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.882128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.882128 (E_RNA)
where:
Base-Base interactions energy: -188.619
where: short stacking energy: -84.211
Base-Backbone interact. energy: -0.013
local terms energy: -100.250702
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -268.767815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.767815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.767815 (E_RNA)
where:
Base-Base interactions energy: -179.473
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.218
local terms energy: -89.076238
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -11.753
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: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -250.674637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.674637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.674637 (E_RNA)
where:
Base-Base interactions energy: -161.542
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.022
local terms energy: -89.110509
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -239.189095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.189095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.189095 (E_RNA)
where:
Base-Base interactions energy: -148.345
where: short stacking energy: -78.424
Base-Backbone interact. energy: -0.012
local terms energy: -90.832692
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -23.759
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: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -257.754517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.754517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.754517 (E_RNA)
where:
Base-Base interactions energy: -170.659
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.116
local terms energy: -86.979925
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -198.699055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.699055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.699055 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -45.535
Base-Backbone interact. energy: -1.355
local terms energy: -62.327365
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -5.694
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: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -119.232881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.232881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.232881 (E_RNA)
where:
Base-Base interactions energy: -47.895
where: short stacking energy: -47.586
Base-Backbone interact. energy: 0.845
local terms energy: -72.183278
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -99.535224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.535224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.535224 (E_RNA)
where:
Base-Base interactions energy: -34.046
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.328
local terms energy: -65.161182
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -95.099832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.099832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.099832 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -33.618
Base-Backbone interact. energy: -0.140
local terms energy: -60.338592
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -1.106
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: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -298.207688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.207688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.207688 (E_RNA)
where:
Base-Base interactions energy: -195.907
where: short stacking energy: -85.436
Base-Backbone interact. energy: -0.876
local terms energy: -101.424807
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -28.624
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: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -293.828401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.828401 (E_RNA)
where:
Base-Base interactions energy: -206.871
where: short stacking energy: -83.653
Base-Backbone interact. energy: -0.007
local terms energy: -86.950098
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -9.776
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: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -281.003797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.003797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.003797 (E_RNA)
where:
Base-Base interactions energy: -192.103
where: short stacking energy: -88.485
Base-Backbone interact. energy: 0.316
local terms energy: -89.216454
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -21.621
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -246.349628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.349628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.349628 (E_RNA)
where:
Base-Base interactions energy: -158.973
where: short stacking energy: -71.642
Base-Backbone interact. energy: 0.088
local terms energy: -87.464878
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -20.167
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: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -239.716136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.716136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.716136 (E_RNA)
where:
Base-Base interactions energy: -165.927
where: short stacking energy: -79.609
Base-Backbone interact. energy: -1.299
local terms energy: -72.490355
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -6.109
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -20.723
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: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -283.653091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.653091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.653091 (E_RNA)
where:
Base-Base interactions energy: -191.587
where: short stacking energy: -86.223
Base-Backbone interact. energy: -0.104
local terms energy: -91.961738
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -23.210
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: 85
Temperature: 1.200000
Total energy: -201.174146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.174146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174146 (E_RNA)
where:
Base-Base interactions energy: -136.950
where: short stacking energy: -61.241
Base-Backbone interact. energy: 0.340
local terms energy: -64.564457
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -122.711879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.711879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.711879 (E_RNA)
where:
Base-Base interactions energy: -58.410
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.132
local terms energy: -64.169484
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -2.272
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: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -109.376714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376714 (E_RNA)
where:
Base-Base interactions energy: -45.201
where: short stacking energy: -38.005
Base-Backbone interact. energy: -1.291
local terms energy: -62.885550
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -99.258955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.258955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.258955 (E_RNA)
where:
Base-Base interactions energy: -52.491
where: short stacking energy: -23.245
Base-Backbone interact. energy: -0.384
local terms energy: -46.383943
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: 6.815
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: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -287.835729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.835729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.835729 (E_RNA)
where:
Base-Base interactions energy: -190.490
where: short stacking energy: -79.791
Base-Backbone interact. energy: -0.099
local terms energy: -97.246693
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -291.197757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.197757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.197757 (E_RNA)
where:
Base-Base interactions energy: -195.544
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.205
local terms energy: -95.449283
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.596
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: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -286.758788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.758788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.758788 (E_RNA)
where:
Base-Base interactions energy: -196.059
where: short stacking energy: -83.203
Base-Backbone interact. energy: -0.192
local terms energy: -90.507264
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -19.599
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: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -256.053265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.053265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.053265 (E_RNA)
where:
Base-Base interactions energy: -169.416
where: short stacking energy: -60.775
Base-Backbone interact. energy: -0.346
local terms energy: -86.290858
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -232.423113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.423113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.423113 (E_RNA)
where:
Base-Base interactions energy: -145.201
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.319
local terms energy: -86.903612
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -214.148349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.148349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.148349 (E_RNA)
where:
Base-Base interactions energy: -128.320
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.014
local terms energy: -85.814742
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -15.511
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -213.251133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.251133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.251133 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.712
local terms energy: -75.638047
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -100.158388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.158388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.158388 (E_RNA)
where:
Base-Base interactions energy: -44.975
where: short stacking energy: -30.579
Base-Backbone interact. energy: 2.958
local terms energy: -58.140793
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -7.146
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: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -105.984489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.984489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.984489 (E_RNA)
where:
Base-Base interactions energy: -37.029
where: short stacking energy: -28.149
Base-Backbone interact. energy: -0.051
local terms energy: -68.905374
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -5.531
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: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -95.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.400634 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.186
local terms energy: -47.920406
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -291.327550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.327550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.327550 (E_RNA)
where:
Base-Base interactions energy: -195.419
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.553
local terms energy: -95.355374
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -13.667
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: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -293.213135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.213135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.213135 (E_RNA)
where:
Base-Base interactions energy: -194.836
where: short stacking energy: -85.028
Base-Backbone interact. energy: -0.006
local terms energy: -98.370473
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -290.211601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.211601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.211601 (E_RNA)
where:
Base-Base interactions energy: -194.314
where: short stacking energy: -88.096
Base-Backbone interact. energy: -0.049
local terms energy: -95.848993
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -247.394924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.394924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.394924 (E_RNA)
where:
Base-Base interactions energy: -162.528
where: short stacking energy: -69.122
Base-Backbone interact. energy: 0.722
local terms energy: -85.588952
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -242.179402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179402 (E_RNA)
where:
Base-Base interactions energy: -160.557
where: short stacking energy: -69.200
Base-Backbone interact. energy: -1.337
local terms energy: -80.284890
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -22.376
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: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -209.036548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.036548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.036548 (E_RNA)
where:
Base-Base interactions energy: -128.144
where: short stacking energy: -59.127
Base-Backbone interact. energy: 1.686
local terms energy: -82.578312
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -183.125779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.125779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.125779 (E_RNA)
where:
Base-Base interactions energy: -103.907
where: short stacking energy: -44.136
Base-Backbone interact. energy: -0.267
local terms energy: -78.951307
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -107.628978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.628978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.628978 (E_RNA)
where:
Base-Base interactions energy: -48.906
where: short stacking energy: -31.083
Base-Backbone interact. energy: -0.945
local terms energy: -57.777770
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -95.675077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.675077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.675077 (E_RNA)
where:
Base-Base interactions energy: -40.224
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.561
local terms energy: -54.890110
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -0.517
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -83.691148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.691148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.691148 (E_RNA)
where:
Base-Base interactions energy: -34.725
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.137
local terms energy: -48.828980
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -292.936484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.936484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.936484 (E_RNA)
where:
Base-Base interactions energy: -187.241
where: short stacking energy: -83.076
Base-Backbone interact. energy: 0.180
local terms energy: -105.875347
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -291.966244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.966244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.966244 (E_RNA)
where:
Base-Base interactions energy: -199.633
where: short stacking energy: -84.554
Base-Backbone interact. energy: -1.282
local terms energy: -91.051262
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -287.092704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.092704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.092704 (E_RNA)
where:
Base-Base interactions energy: -190.951
where: short stacking energy: -82.602
Base-Backbone interact. energy: 0.563
local terms energy: -96.704849
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -239.297239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.297239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.297239 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.992
local terms energy: -88.940078
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -227.679613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.679613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.679613 (E_RNA)
where:
Base-Base interactions energy: -155.874
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.077
local terms energy: -71.727923
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -212.595817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.595817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.595817 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -62.224
Base-Backbone interact. energy: -0.196
local terms energy: -70.157362
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -193.390221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.390221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.390221 (E_RNA)
where:
Base-Base interactions energy: -124.502
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.088
local terms energy: -68.799908
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -18.302
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: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -114.651184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.651184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.651184 (E_RNA)
where:
Base-Base interactions energy: -53.990
where: short stacking energy: -47.729
Base-Backbone interact. energy: -0.052
local terms energy: -60.609689
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -101.403439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.403439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.403439 (E_RNA)
where:
Base-Base interactions energy: -45.151
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.397
local terms energy: -55.855885
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -95.094929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.094929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.094929 (E_RNA)
where:
Base-Base interactions energy: -25.426
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.949
local terms energy: -68.719451
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -8.888
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: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -292.047225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.047225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.047225 (E_RNA)
where:
Base-Base interactions energy: -196.533
where: short stacking energy: -80.994
Base-Backbone interact. energy: -1.176
local terms energy: -94.338101
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -287.922742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.922742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.922742 (E_RNA)
where:
Base-Base interactions energy: -189.427
where: short stacking energy: -86.493
Base-Backbone interact. energy: -0.739
local terms energy: -97.756814
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -24.912
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: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -289.374848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.374848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.374848 (E_RNA)
where:
Base-Base interactions energy: -195.198
where: short stacking energy: -79.283
Base-Backbone interact. energy: -0.102
local terms energy: -94.074909
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -248.930502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.930502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.930502 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -68.471
Base-Backbone interact. energy: 1.622
local terms energy: -83.769701
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -209.862919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.862919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.862919 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.155
local terms energy: -76.261729
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -201.972152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.972152 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -57.298
Base-Backbone interact. energy: -1.018
local terms energy: -86.663249
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -9.871
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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -213.107479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107479 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.187
local terms energy: -75.418183
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -108.465849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.465849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.465849 (E_RNA)
where:
Base-Base interactions energy: -46.938
where: short stacking energy: -46.439
Base-Backbone interact. energy: 0.275
local terms energy: -61.803582
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -110.293142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.293142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.293142 (E_RNA)
where:
Base-Base interactions energy: -45.106
where: short stacking energy: -42.083
Base-Backbone interact. energy: 0.304
local terms energy: -65.491010
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -0.626
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -84.410419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.410419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.410419 (E_RNA)
where:
Base-Base interactions energy: -25.254
where: short stacking energy: -20.472
Base-Backbone interact. energy: -0.448
local terms energy: -58.708688
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -1.195
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: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -293.716985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.716985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.716985 (E_RNA)
where:
Base-Base interactions energy: -197.956
where: short stacking energy: -86.944
Base-Backbone interact. energy: -0.258
local terms energy: -95.502616
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -23.208
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -285.636186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.636186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.636186 (E_RNA)
where:
Base-Base interactions energy: -188.982
where: short stacking energy: -76.230
Base-Backbone interact. energy: -0.843
local terms energy: -95.811705
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -12.509
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: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -287.164568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.164568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.164568 (E_RNA)
where:
Base-Base interactions energy: -197.958
where: short stacking energy: -80.289
Base-Backbone interact. energy: -0.050
local terms energy: -89.155979
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -243.540363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.540363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.540363 (E_RNA)
where:
Base-Base interactions energy: -161.779
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.140
local terms energy: -81.621509
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -217.343941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.343941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.343941 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -68.566
Base-Backbone interact. energy: 0.179
local terms energy: -78.172424
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -13.326
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: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -201.040541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.040541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.040541 (E_RNA)
where:
Base-Base interactions energy: -129.879
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.165
local terms energy: -70.996841
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -12.485
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: 90
Temperature: 1.200000
Total energy: -212.509806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.509806 (E_RNA)
where:
Base-Base interactions energy: -138.654
where: short stacking energy: -68.746
Base-Backbone interact. energy: 0.578
local terms energy: -74.433252
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -117.068933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.068933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.068933 (E_RNA)
where:
Base-Base interactions energy: -51.048
where: short stacking energy: -34.267
Base-Backbone interact. energy: -0.349
local terms energy: -65.672195
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -104.869561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.869561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.869561 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.342
local terms energy: -58.452936
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -91.675339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.675339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.675339 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -31.383
Base-Backbone interact. energy: 0.283
local terms energy: -53.557007
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: 2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -295.317238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.317238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.317238 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -83.804
Base-Backbone interact. energy: 0.064
local terms energy: -89.175138
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -13.330
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: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -294.071608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.071608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.071608 (E_RNA)
where:
Base-Base interactions energy: -200.247
where: short stacking energy: -85.406
Base-Backbone interact. energy: -0.032
local terms energy: -93.792383
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -12.291
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: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -272.631683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.631683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.631683 (E_RNA)
where:
Base-Base interactions energy: -187.525
where: short stacking energy: -86.171
Base-Backbone interact. energy: -0.003
local terms energy: -85.103567
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -234.711824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.711824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.711824 (E_RNA)
where:
Base-Base interactions energy: -158.741
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.116
local terms energy: -75.854572
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -19.846
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: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -234.708547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.708547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.708547 (E_RNA)
where:
Base-Base interactions energy: -156.076
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.014
local terms energy: -78.618858
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -208.265755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.265755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.265755 (E_RNA)
where:
Base-Base interactions energy: -134.929
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.322
local terms energy: -73.014634
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -215.912626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912626 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.022
local terms energy: -78.588870
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -110.231779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.231779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.231779 (E_RNA)
where:
Base-Base interactions energy: -52.795
where: short stacking energy: -24.253
Base-Backbone interact. energy: 0.270
local terms energy: -57.706162
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -117.555322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.555322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.555322 (E_RNA)
where:
Base-Base interactions energy: -52.545
where: short stacking energy: -46.950
Base-Backbone interact. energy: 0.378
local terms energy: -65.388866
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -95.192737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.192737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.192737 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.075
local terms energy: -64.074300
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -287.783385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.783385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.783385 (E_RNA)
where:
Base-Base interactions energy: -190.023
where: short stacking energy: -84.776
Base-Backbone interact. energy: -0.110
local terms energy: -97.650008
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -14.731
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: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -289.350394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.350394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.350394 (E_RNA)
where:
Base-Base interactions energy: -200.550
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.322
local terms energy: -88.478306
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -11.543
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: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -283.283753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.283753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.283753 (E_RNA)
where:
Base-Base interactions energy: -188.106
where: short stacking energy: -83.420
Base-Backbone interact. energy: -0.059
local terms energy: -95.118523
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -233.225024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.225024 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -65.192
Base-Backbone interact. energy: -1.191
local terms energy: -73.546115
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -216.703019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.703019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.703019 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.198
local terms energy: -68.719333
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -206.493242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.493242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.493242 (E_RNA)
where:
Base-Base interactions energy: -127.367
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.184
local terms energy: -78.941513
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -208.150934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.150934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.150934 (E_RNA)
where:
Base-Base interactions energy: -131.182
where: short stacking energy: -63.600
Base-Backbone interact. energy: -1.277
local terms energy: -75.691706
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -149.219993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.219993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.219993 (E_RNA)
where:
Base-Base interactions energy: -74.322
where: short stacking energy: -37.324
Base-Backbone interact. energy: -1.871
local terms energy: -73.026759
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -102.828457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.828457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.828457 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -34.663
Base-Backbone interact. energy: 2.347
local terms energy: -64.887012
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -102.375891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.375891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.375891 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -17.010
Base-Backbone interact. energy: -0.330
local terms energy: -63.256501
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: 2.267
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: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -294.506464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.506464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.506464 (E_RNA)
where:
Base-Base interactions energy: -200.246
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.523
local terms energy: -93.737488
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -286.990318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.990318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.990318 (E_RNA)
where:
Base-Base interactions energy: -192.658
where: short stacking energy: -81.309
Base-Backbone interact. energy: -0.389
local terms energy: -93.942675
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -280.547521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.547521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.547521 (E_RNA)
where:
Base-Base interactions energy: -186.284
where: short stacking energy: -78.608
Base-Backbone interact. energy: 0.353
local terms energy: -94.616507
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -255.930769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.930769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.930769 (E_RNA)
where:
Base-Base interactions energy: -168.077
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.066
local terms energy: -87.788511
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -234.491672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.491672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.491672 (E_RNA)
where:
Base-Base interactions energy: -152.269
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.565
local terms energy: -81.657814
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -14.528
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: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -201.070302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.070302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.070302 (E_RNA)
where:
Base-Base interactions energy: -132.297
where: short stacking energy: -65.817
Base-Backbone interact. energy: -0.773
local terms energy: -67.999704
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -202.611157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611157 (E_RNA)
where:
Base-Base interactions energy: -121.136
where: short stacking energy: -58.973
Base-Backbone interact. energy: -1.782
local terms energy: -79.693564
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -156.336425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.336425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336425 (E_RNA)
where:
Base-Base interactions energy: -102.396
where: short stacking energy: -42.608
Base-Backbone interact. energy: 2.355
local terms energy: -56.295861
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -92.673196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.673196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.673196 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -23.050
Base-Backbone interact. energy: -0.503
local terms energy: -56.205313
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -2.581
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -95.267128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.267128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.267128 (E_RNA)
where:
Base-Base interactions energy: -36.556
where: short stacking energy: -26.302
Base-Backbone interact. energy: 0.563
local terms energy: -59.273653
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -286.934932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.934932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.934932 (E_RNA)
where:
Base-Base interactions energy: -190.440
where: short stacking energy: -81.284
Base-Backbone interact. energy: -1.110
local terms energy: -95.384799
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -20.967
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -22.933
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: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -281.990655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.990655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.990655 (E_RNA)
where:
Base-Base interactions energy: -192.949
where: short stacking energy: -78.621
Base-Backbone interact. energy: -0.294
local terms energy: -88.747624
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -7.695
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: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -276.205222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.205222 (E_RNA)
where:
Base-Base interactions energy: -178.309
where: short stacking energy: -80.629
Base-Backbone interact. energy: -2.350
local terms energy: -95.546050
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -229.134200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.134200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.134200 (E_RNA)
where:
Base-Base interactions energy: -147.028
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.045
local terms energy: -82.061801
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -242.048527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.048527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.048527 (E_RNA)
where:
Base-Base interactions energy: -168.193
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.388
local terms energy: -73.468234
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -187.038495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.038495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.038495 (E_RNA)
where:
Base-Base interactions energy: -107.582
where: short stacking energy: -45.407
Base-Backbone interact. energy: -0.007
local terms energy: -79.448822
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -12.260
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: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -221.846375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846375 (E_RNA)
where:
Base-Base interactions energy: -139.665
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.961
local terms energy: -81.220363
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -105.501476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.501476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.501476 (E_RNA)
where:
Base-Base interactions energy: -50.724
where: short stacking energy: -32.465
Base-Backbone interact. energy: -0.445
local terms energy: -54.333138
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -108.121583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.121583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.121583 (E_RNA)
where:
Base-Base interactions energy: -49.767
where: short stacking energy: -23.001
Base-Backbone interact. energy: 0.316
local terms energy: -58.670317
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -0.988
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: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -96.685423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685423 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.485
local terms energy: -66.322075
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -7.331
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -288.695287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.695287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.695287 (E_RNA)
where:
Base-Base interactions energy: -191.169
where: short stacking energy: -85.398
Base-Backbone interact. energy: -0.528
local terms energy: -96.998289
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -283.188478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.188478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.188478 (E_RNA)
where:
Base-Base interactions energy: -191.309
where: short stacking energy: -87.538
Base-Backbone interact. energy: -1.057
local terms energy: -90.822387
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -277.665931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.665931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.665931 (E_RNA)
where:
Base-Base interactions energy: -185.412
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.875
local terms energy: -91.378589
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -249.261223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.261223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.261223 (E_RNA)
where:
Base-Base interactions energy: -162.698
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.177
local terms energy: -86.386463
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -21.868
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: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -238.196456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.196456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.196456 (E_RNA)
where:
Base-Base interactions energy: -155.618
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.377
local terms energy: -82.201457
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -221.245075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.245075 (E_RNA)
where:
Base-Base interactions energy: -140.624
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.275
local terms energy: -80.345994
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -179.056062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056062 (E_RNA)
where:
Base-Base interactions energy: -107.341
where: short stacking energy: -42.966
Base-Backbone interact. energy: -1.124
local terms energy: -70.591131
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -2.514
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -101.973692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.973692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.973692 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -43.102
Base-Backbone interact. energy: 0.042
local terms energy: -58.914208
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -106.713520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713520 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.150
local terms energy: -66.303386
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -90.030076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.030076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.030076 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.101
local terms energy: -57.912897
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -288.495928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.495928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.495928 (E_RNA)
where:
Base-Base interactions energy: -194.285
where: short stacking energy: -83.660
Base-Backbone interact. energy: -0.009
local terms energy: -94.201474
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -10.139
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: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -281.015869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.015869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.015869 (E_RNA)
where:
Base-Base interactions energy: -188.237
where: short stacking energy: -77.706
Base-Backbone interact. energy: 0.476
local terms energy: -93.254895
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -283.212212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.212212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.212212 (E_RNA)
where:
Base-Base interactions energy: -189.191
where: short stacking energy: -82.313
Base-Backbone interact. energy: -0.022
local terms energy: -93.998463
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -23.246
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -244.063791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.063791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.063791 (E_RNA)
where:
Base-Base interactions energy: -166.093
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.303
local terms energy: -77.667885
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -235.818633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.818633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.818633 (E_RNA)
where:
Base-Base interactions energy: -151.259
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.351
local terms energy: -84.208771
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -243.829204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.829204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.829204 (E_RNA)
where:
Base-Base interactions energy: -158.764
where: short stacking energy: -73.748
Base-Backbone interact. energy: 0.343
local terms energy: -85.407751
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -176.957370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957370 (E_RNA)
where:
Base-Base interactions energy: -105.906
where: short stacking energy: -58.024
Base-Backbone interact. energy: -0.616
local terms energy: -70.434833
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -10.513
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: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -98.212279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.212279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.212279 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.279
local terms energy: -51.998353
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -141.903871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.903871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.903871 (E_RNA)
where:
Base-Base interactions energy: -69.353
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.374
local terms energy: -72.176949
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -85.665245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.665245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.665245 (E_RNA)
where:
Base-Base interactions energy: -28.425
where: short stacking energy: -22.260
Base-Backbone interact. energy: -0.325
local terms energy: -56.915365
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -288.062578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.062578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.062578 (E_RNA)
where:
Base-Base interactions energy: -192.715
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.802
local terms energy: -94.545687
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -282.432931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.432931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.432931 (E_RNA)
where:
Base-Base interactions energy: -193.777
where: short stacking energy: -83.756
Base-Backbone interact. energy: -0.788
local terms energy: -87.868219
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -24.662
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: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -270.633229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.633229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.633229 (E_RNA)
where:
Base-Base interactions energy: -172.705
where: short stacking energy: -82.709
Base-Backbone interact. energy: -0.008
local terms energy: -97.920626
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -257.502484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.502484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502484 (E_RNA)
where:
Base-Base interactions energy: -171.410
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.030
local terms energy: -86.062664
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.060
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -239.503550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.503550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.503550 (E_RNA)
where:
Base-Base interactions energy: -162.626
where: short stacking energy: -59.713
Base-Backbone interact. energy: -0.465
local terms energy: -76.412519
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -11.794
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -228.123891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.123891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123891 (E_RNA)
where:
Base-Base interactions energy: -146.597
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.126
local terms energy: -81.401510
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -160.377665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.377665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377665 (E_RNA)
where:
Base-Base interactions energy: -93.382
where: short stacking energy: -45.661
Base-Backbone interact. energy: 0.355
local terms energy: -67.351062
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -100.027904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.027904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.027904 (E_RNA)
where:
Base-Base interactions energy: -34.950
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.524
local terms energy: -64.553446
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -139.272570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.272570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.272570 (E_RNA)
where:
Base-Base interactions energy: -71.719
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.172
local terms energy: -67.380818
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -92.854472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854472 (E_RNA)
where:
Base-Base interactions energy: -41.247
where: short stacking energy: -41.747
Base-Backbone interact. energy: 0.383
local terms energy: -51.990546
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -292.811859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.811859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.811859 (E_RNA)
where:
Base-Base interactions energy: -196.565
where: short stacking energy: -83.294
Base-Backbone interact. energy: -1.295
local terms energy: -94.951804
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -279.878018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878018 (E_RNA)
where:
Base-Base interactions energy: -194.999
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.087
local terms energy: -84.791698
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -22.914
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: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -249.502040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.502040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.502040 (E_RNA)
where:
Base-Base interactions energy: -165.977
where: short stacking energy: -80.506
Base-Backbone interact. energy: -0.218
local terms energy: -83.307081
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -258.093016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.093016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.093016 (E_RNA)
where:
Base-Base interactions energy: -169.732
where: short stacking energy: -73.165
Base-Backbone interact. energy: -0.415
local terms energy: -87.945818
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -20.529
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: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -249.423082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.423082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.423082 (E_RNA)
where:
Base-Base interactions energy: -165.805
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.422
local terms energy: -83.196229
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -17.355
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -190.457634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.457634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.457634 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -54.132
Base-Backbone interact. energy: 0.295
local terms energy: -75.917350
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -15.801
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -197.595251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.595251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.595251 (E_RNA)
where:
Base-Base interactions energy: -126.001
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.352
local terms energy: -71.243055
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -140.180446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.180446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.180446 (E_RNA)
where:
Base-Base interactions energy: -74.479
where: short stacking energy: -32.816
Base-Backbone interact. energy: -1.424
local terms energy: -64.277567
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -1.038
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: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -114.599204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.599204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.599204 (E_RNA)
where:
Base-Base interactions energy: -51.739
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.232
local terms energy: -62.628447
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -92.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.930806 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -25.249
Base-Backbone interact. energy: -0.434
local terms energy: -63.299727
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -286.212699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.212699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.212699 (E_RNA)
where:
Base-Base interactions energy: -197.680
where: short stacking energy: -83.581
Base-Backbone interact. energy: 0.678
local terms energy: -89.210264
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -281.893205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.893205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.893205 (E_RNA)
where:
Base-Base interactions energy: -194.281
where: short stacking energy: -77.378
Base-Backbone interact. energy: -0.853
local terms energy: -86.759031
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -22.104
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: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -251.846816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.846816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.846816 (E_RNA)
where:
Base-Base interactions energy: -154.410
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.664
local terms energy: -96.772421
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -261.986793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.986793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.986793 (E_RNA)
where:
Base-Base interactions energy: -172.950
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.360
local terms energy: -88.677376
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -238.507950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.507950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.507950 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -69.831
Base-Backbone interact. energy: -0.090
local terms energy: -72.278393
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -206.438316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.438316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.438316 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.294
local terms energy: -80.907145
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -11.257
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -208.238248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238248 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.633
local terms energy: -86.819285
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -130.963409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.963409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.963409 (E_RNA)
where:
Base-Base interactions energy: -72.786
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.361
local terms energy: -57.816065
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -120.196222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.196222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.196222 (E_RNA)
where:
Base-Base interactions energy: -63.490
where: short stacking energy: -23.874
Base-Backbone interact. energy: -1.985
local terms energy: -54.720817
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -96.645001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.645001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.645001 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -20.384
Base-Backbone interact. energy: -1.537
local terms energy: -61.289618
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: 1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -284.147212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.147212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.147212 (E_RNA)
where:
Base-Base interactions energy: -193.875
where: short stacking energy: -78.999
Base-Backbone interact. energy: 0.039
local terms energy: -90.310598
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -281.886236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.886236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.886236 (E_RNA)
where:
Base-Base interactions energy: -193.006
where: short stacking energy: -84.901
Base-Backbone interact. energy: -0.047
local terms energy: -88.833244
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -22.254
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -263.476791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.476791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.476791 (E_RNA)
where:
Base-Base interactions energy: -190.202
where: short stacking energy: -59.538
Base-Backbone interact. energy: 0.668
local terms energy: -73.942827
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -14.188
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -241.172974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.172974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.172974 (E_RNA)
where:
Base-Base interactions energy: -151.130
where: short stacking energy: -72.595
Base-Backbone interact. energy: 0.300
local terms energy: -90.343346
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -13.815
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -223.938793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.938793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.938793 (E_RNA)
where:
Base-Base interactions energy: -147.457
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.182
local terms energy: -76.299837
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -236.962505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.962505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.962505 (E_RNA)
where:
Base-Base interactions energy: -151.173
where: short stacking energy: -60.829
Base-Backbone interact. energy: -0.115
local terms energy: -85.674233
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -151.932430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.932430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.932430 (E_RNA)
where:
Base-Base interactions energy: -88.096
where: short stacking energy: -43.499
Base-Backbone interact. energy: -0.142
local terms energy: -63.695004
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -7.938
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: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -197.196945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.196945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.196945 (E_RNA)
where:
Base-Base interactions energy: -116.893
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.104
local terms energy: -80.199620
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -90.505597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505597 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -20.089
Base-Backbone interact. energy: -1.821
local terms energy: -54.274298
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: 1.574
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: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -96.899849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.899849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.899849 (E_RNA)
where:
Base-Base interactions energy: -48.635
where: short stacking energy: -38.480
Base-Backbone interact. energy: 0.035
local terms energy: -48.300339
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -5.156
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: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -279.018323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.018323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.018323 (E_RNA)
where:
Base-Base interactions energy: -195.293
where: short stacking energy: -71.616
Base-Backbone interact. energy: 0.157
local terms energy: -83.882079
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -5.841
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: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -283.835755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.835755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.835755 (E_RNA)
where:
Base-Base interactions energy: -188.697
where: short stacking energy: -79.087
Base-Backbone interact. energy: 0.051
local terms energy: -95.189126
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -254.240232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.240232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.240232 (E_RNA)
where:
Base-Base interactions energy: -165.527
where: short stacking energy: -70.940
Base-Backbone interact. energy: -0.759
local terms energy: -87.954121
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -22.214
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: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -220.617011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.617011 (E_RNA)
where:
Base-Base interactions energy: -132.885
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.037
local terms energy: -87.694683
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -229.311062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.311062 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.072
local terms energy: -83.130847
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -239.621267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.621267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.621267 (E_RNA)
where:
Base-Base interactions energy: -154.511
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.777
local terms energy: -84.333129
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -180.264201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.264201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.264201 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -44.816
Base-Backbone interact. energy: -0.406
local terms energy: -59.386542
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -196.422858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.422858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.422858 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.883
local terms energy: -74.988961
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -96.147802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.147802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.147802 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.381
local terms energy: -54.672051
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -95.924460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.924460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.924460 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.364
local terms energy: -55.177718
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -288.298951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.298951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.298951 (E_RNA)
where:
Base-Base interactions energy: -189.009
where: short stacking energy: -81.630
Base-Backbone interact. energy: -0.273
local terms energy: -99.016170
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -24.057
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: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -281.351254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.351254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.351254 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -88.510
Base-Backbone interact. energy: -0.017
local terms energy: -87.293587
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -230.215489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.215489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.215489 (E_RNA)
where:
Base-Base interactions energy: -136.639
where: short stacking energy: -80.167
Base-Backbone interact. energy: 0.624
local terms energy: -94.200258
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -248.665950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665950 (E_RNA)
where:
Base-Base interactions energy: -167.617
where: short stacking energy: -61.191
Base-Backbone interact. energy: 0.453
local terms energy: -81.501873
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -233.686784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.686784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.686784 (E_RNA)
where:
Base-Base interactions energy: -164.895
where: short stacking energy: -62.180
Base-Backbone interact. energy: 0.156
local terms energy: -68.947356
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -12.285
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -254.560033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.560033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.560033 (E_RNA)
where:
Base-Base interactions energy: -168.183
where: short stacking energy: -76.164
Base-Backbone interact. energy: -0.098
local terms energy: -86.279423
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.638
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: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -177.903800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.903800 (E_RNA)
where:
Base-Base interactions energy: -106.000
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.399
local terms energy: -71.504362
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -156.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.377868 (E_RNA)
where:
Base-Base interactions energy: -89.829
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.382
local terms energy: -66.166902
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -92.462585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.462585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.462585 (E_RNA)
where:
Base-Base interactions energy: -29.687
where: short stacking energy: -22.124
Base-Backbone interact. energy: 0.944
local terms energy: -63.719548
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -109.430430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.430430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.430430 (E_RNA)
where:
Base-Base interactions energy: -49.343
where: short stacking energy: -22.852
Base-Backbone interact. energy: -0.147
local terms energy: -59.940154
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: 4.311
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: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -290.011371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.011371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.011371 (E_RNA)
where:
Base-Base interactions energy: -194.824
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.095
local terms energy: -95.092199
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -294.374872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.374872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.374872 (E_RNA)
where:
Base-Base interactions energy: -195.940
where: short stacking energy: -82.363
Base-Backbone interact. energy: -0.002
local terms energy: -98.433124
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -232.046620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.046620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.046620 (E_RNA)
where:
Base-Base interactions energy: -144.603
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.002
local terms energy: -87.441260
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -228.598422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.598422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.598422 (E_RNA)
where:
Base-Base interactions energy: -155.572
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.413
local terms energy: -72.613899
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -8.798
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -244.088622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.088622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.088622 (E_RNA)
where:
Base-Base interactions energy: -159.792
where: short stacking energy: -65.859
Base-Backbone interact. energy: -0.308
local terms energy: -83.988497
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -211.020876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.020876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.020876 (E_RNA)
where:
Base-Base interactions energy: -131.641
where: short stacking energy: -53.393
Base-Backbone interact. energy: -0.137
local terms energy: -79.242867
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -18.475
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -194.992122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.992122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.992122 (E_RNA)
where:
Base-Base interactions energy: -127.878
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.122
local terms energy: -66.992304
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -185.696926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.696926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.696926 (E_RNA)
where:
Base-Base interactions energy: -123.191
where: short stacking energy: -56.283
Base-Backbone interact. energy: 0.509
local terms energy: -63.014898
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -84.034288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.034288 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -29.648
Base-Backbone interact. energy: -0.827
local terms energy: -53.559071
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -6.967
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -85.135039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.135039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.135039 (E_RNA)
where:
Base-Base interactions energy: -22.836
where: short stacking energy: -22.836
Base-Backbone interact. energy: -1.049
local terms energy: -61.249367
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -292.340985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.340985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.340985 (E_RNA)
where:
Base-Base interactions energy: -193.476
where: short stacking energy: -81.600
Base-Backbone interact. energy: -0.462
local terms energy: -98.403567
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -25.572
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: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -277.971872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.971872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.971872 (E_RNA)
where:
Base-Base interactions energy: -194.721
where: short stacking energy: -85.389
Base-Backbone interact. energy: -0.007
local terms energy: -83.243618
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -238.577600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.577600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.577600 (E_RNA)
where:
Base-Base interactions energy: -148.589
where: short stacking energy: -71.566
Base-Backbone interact. energy: 0.178
local terms energy: -90.165999
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -251.085282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.085282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.085282 (E_RNA)
where:
Base-Base interactions energy: -160.892
where: short stacking energy: -65.649
Base-Backbone interact. energy: -1.409
local terms energy: -88.785033
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -18.977
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: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -209.027185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027185 (E_RNA)
where:
Base-Base interactions energy: -131.219
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.110
local terms energy: -77.697925
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -233.285399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.285399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.285399 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.461
local terms energy: -77.001464
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -210.476615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.476615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.476615 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.179
local terms energy: -68.980341
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -183.242416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.242416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.242416 (E_RNA)
where:
Base-Base interactions energy: -112.236
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.772
local terms energy: -70.234492
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -8.300
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: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -162.716581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.716581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.716581 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.078
local terms energy: -55.709450
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -2.281
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: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -91.791412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791412 (E_RNA)
where:
Base-Base interactions energy: -28.693
where: short stacking energy: -17.873
Base-Backbone interact. energy: -0.223
local terms energy: -62.876118
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -291.225658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.225658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.225658 (E_RNA)
where:
Base-Base interactions energy: -190.027
where: short stacking energy: -79.076
Base-Backbone interact. energy: -0.347
local terms energy: -100.852023
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -233.407552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.407552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.407552 (E_RNA)
where:
Base-Base interactions energy: -149.843
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.363
local terms energy: -83.201409
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -14.446
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: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -273.360010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.360010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.360010 (E_RNA)
where:
Base-Base interactions energy: -183.054
where: short stacking energy: -80.482
Base-Backbone interact. energy: 0.720
local terms energy: -91.025297
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -20.899
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: 105
Temperature: 1.050000
Total energy: -244.676859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.676859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.676859 (E_RNA)
where:
Base-Base interactions energy: -162.087
where: short stacking energy: -66.541
Base-Backbone interact. energy: 0.025
local terms energy: -82.614661
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -229.087429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.087429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.087429 (E_RNA)
where:
Base-Base interactions energy: -144.854
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.121
local terms energy: -84.112904
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -220.348869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.348869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.348869 (E_RNA)
where:
Base-Base interactions energy: -147.289
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.077
local terms energy: -72.982582
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -14.926
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: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -212.181498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181498 (E_RNA)
where:
Base-Base interactions energy: -141.434
where: short stacking energy: -50.667
Base-Backbone interact. energy: -0.406
local terms energy: -70.342359
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -10.670
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: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -186.880222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.880222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.880222 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.162
local terms energy: -67.105900
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -123.213946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.213946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.213946 (E_RNA)
where:
Base-Base interactions energy: -73.066
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.336
local terms energy: -49.812640
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: 1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -90.479605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479605 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -22.488
Base-Backbone interact. energy: 0.303
local terms energy: -56.269792
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -288.081153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.081153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.081153 (E_RNA)
where:
Base-Base interactions energy: -198.917
where: short stacking energy: -91.297
Base-Backbone interact. energy: -0.749
local terms energy: -88.414745
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -246.617955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.617955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.617955 (E_RNA)
where:
Base-Base interactions energy: -149.794
where: short stacking energy: -87.991
Base-Backbone interact. energy: -0.001
local terms energy: -96.823872
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -29.099
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: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -262.201006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.201006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.201006 (E_RNA)
where:
Base-Base interactions energy: -174.243
where: short stacking energy: -77.201
Base-Backbone interact. energy: -0.113
local terms energy: -87.844563
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -23.059
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: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -259.356318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.356318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.356318 (E_RNA)
where:
Base-Base interactions energy: -176.136
where: short stacking energy: -76.241
Base-Backbone interact. energy: -0.013
local terms energy: -83.207223
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -219.086430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.086430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.086430 (E_RNA)
where:
Base-Base interactions energy: -136.211
where: short stacking energy: -75.271
Base-Backbone interact. energy: -0.018
local terms energy: -82.857328
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -241.728974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.728974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.728974 (E_RNA)
where:
Base-Base interactions energy: -154.149
where: short stacking energy: -67.338
Base-Backbone interact. energy: -0.919
local terms energy: -86.660838
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -195.014937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.014937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.014937 (E_RNA)
where:
Base-Base interactions energy: -115.758
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.121
local terms energy: -79.136122
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -194.328810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.328810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.328810 (E_RNA)
where:
Base-Base interactions energy: -118.313
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.105
local terms energy: -75.910583
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -101.401251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.401251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.401251 (E_RNA)
where:
Base-Base interactions energy: -46.965
where: short stacking energy: -23.859
Base-Backbone interact. energy: -0.529
local terms energy: -53.906697
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.780
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: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -103.295919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.295919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.295919 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.004
Base-Backbone interact. energy: 1.782
local terms energy: -69.207957
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -274.716046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.716046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.716046 (E_RNA)
where:
Base-Base interactions energy: -183.767
where: short stacking energy: -76.061
Base-Backbone interact. energy: 1.071
local terms energy: -92.019615
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -9.968
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: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -282.760946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.760946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.760946 (E_RNA)
where:
Base-Base interactions energy: -195.250
where: short stacking energy: -84.924
Base-Backbone interact. energy: -0.358
local terms energy: -87.152961
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -25.230
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: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -241.591275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.591275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.591275 (E_RNA)
where:
Base-Base interactions energy: -151.453
where: short stacking energy: -84.136
Base-Backbone interact. energy: -0.002
local terms energy: -90.136932
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -248.639851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.639851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.639851 (E_RNA)
where:
Base-Base interactions energy: -155.916
where: short stacking energy: -64.733
Base-Backbone interact. energy: -0.095
local terms energy: -92.628618
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -266.354872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.354872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.354872 (E_RNA)
where:
Base-Base interactions energy: -180.787
where: short stacking energy: -82.047
Base-Backbone interact. energy: -0.114
local terms energy: -85.454131
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -235.848659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.848659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.848659 (E_RNA)
where:
Base-Base interactions energy: -150.137
where: short stacking energy: -62.646
Base-Backbone interact. energy: 0.381
local terms energy: -86.092081
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -199.621460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.621460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.621460 (E_RNA)
where:
Base-Base interactions energy: -125.839
where: short stacking energy: -60.130
Base-Backbone interact. energy: 1.333
local terms energy: -75.115663
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -12.756
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: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -164.786086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.786086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.786086 (E_RNA)
where:
Base-Base interactions energy: -96.073
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.226
local terms energy: -68.487138
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -92.271855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.271855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.271855 (E_RNA)
where:
Base-Base interactions energy: -43.171
where: short stacking energy: -37.338
Base-Backbone interact. energy: -0.037
local terms energy: -49.063178
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: 0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -92.440330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.440330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.440330 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -30.204
Base-Backbone interact. energy: 0.553
local terms energy: -56.761477
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -0.282
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: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -286.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.337407 (E_RNA)
where:
Base-Base interactions energy: -186.483
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.402
local terms energy: -99.452982
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -282.363033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.363033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.363033 (E_RNA)
where:
Base-Base interactions energy: -189.371
where: short stacking energy: -83.247
Base-Backbone interact. energy: 2.529
local terms energy: -95.521437
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -232.117322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.117322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.117322 (E_RNA)
where:
Base-Base interactions energy: -147.366
where: short stacking energy: -84.495
Base-Backbone interact. energy: -0.715
local terms energy: -84.036676
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -246.920289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.920289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.920289 (E_RNA)
where:
Base-Base interactions energy: -156.301
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.154
local terms energy: -90.465268
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -257.904403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.904403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.904403 (E_RNA)
where:
Base-Base interactions energy: -175.430
where: short stacking energy: -74.297
Base-Backbone interact. energy: 0.055
local terms energy: -82.529065
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -210.601333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601333 (E_RNA)
where:
Base-Base interactions energy: -142.325
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.188
local terms energy: -68.088538
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -212.514851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514851 (E_RNA)
where:
Base-Base interactions energy: -138.651
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.116
local terms energy: -73.748326
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -174.664580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.664580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.664580 (E_RNA)
where:
Base-Base interactions energy: -102.496
where: short stacking energy: -44.995
Base-Backbone interact. energy: -0.519
local terms energy: -71.649958
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -11.873
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -109.220036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.220036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.220036 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -32.937
Base-Backbone interact. energy: -0.445
local terms energy: -64.633981
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -99.165943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.165943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.165943 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -29.708
Base-Backbone interact. energy: -1.355
local terms energy: -68.289205
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -279.609884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.609884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.609884 (E_RNA)
where:
Base-Base interactions energy: -185.447
where: short stacking energy: -72.504
Base-Backbone interact. energy: -0.064
local terms energy: -94.099302
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -11.889
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: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -290.033782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.033782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.033782 (E_RNA)
where:
Base-Base interactions energy: -194.768
where: short stacking energy: -80.576
Base-Backbone interact. energy: -0.141
local terms energy: -95.125005
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -12.930
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: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -231.070370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.070370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.070370 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -76.366
Base-Backbone interact. energy: -0.091
local terms energy: -90.718638
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -256.720542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.720542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.720542 (E_RNA)
where:
Base-Base interactions energy: -166.478
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.102
local terms energy: -90.141009
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -246.454442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.454442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.454442 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -65.215
Base-Backbone interact. energy: 0.067
local terms energy: -83.553046
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -185.536610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.536610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.536610 (E_RNA)
where:
Base-Base interactions energy: -111.898
where: short stacking energy: -52.629
Base-Backbone interact. energy: -0.707
local terms energy: -72.931220
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -196.042369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.042369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.042369 (E_RNA)
where:
Base-Base interactions energy: -132.092
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.179
local terms energy: -63.771279
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -193.064810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.064810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.064810 (E_RNA)
where:
Base-Base interactions energy: -119.306
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.450
local terms energy: -73.308908
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -88.479188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479188 (E_RNA)
where:
Base-Base interactions energy: -21.835
where: short stacking energy: -17.071
Base-Backbone interact. energy: -0.114
local terms energy: -66.530556
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -1.037
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -95.259401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.259401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.259401 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.224
local terms energy: -62.098907
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -289.955662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.955662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.955662 (E_RNA)
where:
Base-Base interactions energy: -196.070
where: short stacking energy: -84.777
Base-Backbone interact. energy: -0.573
local terms energy: -93.312406
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -288.898490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.898490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.898490 (E_RNA)
where:
Base-Base interactions energy: -190.879
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.535
local terms energy: -97.484486
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -23.698
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: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -300.865165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.865165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.865165 (E_RNA)
where:
Base-Base interactions energy: -197.154
where: short stacking energy: -84.827
Base-Backbone interact. energy: 0.518
local terms energy: -104.229214
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -21.778
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -217.655105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.655105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.655105 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.157
local terms energy: -81.523092
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -239.992091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.992091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.992091 (E_RNA)
where:
Base-Base interactions energy: -149.027
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.124
local terms energy: -90.841049
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -19.646
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -212.087932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.087932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.087932 (E_RNA)
where:
Base-Base interactions energy: -138.772
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.070
local terms energy: -73.245826
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -195.802348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.802348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.802348 (E_RNA)
where:
Base-Base interactions energy: -116.660
where: short stacking energy: -51.690
Base-Backbone interact. energy: -0.147
local terms energy: -78.995523
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -167.228573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.228573 (E_RNA)
where:
Base-Base interactions energy: -100.075
where: short stacking energy: -50.998
Base-Backbone interact. energy: -0.922
local terms energy: -66.231326
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -89.838920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.838920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.838920 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.582
local terms energy: -53.609737
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -2.120
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: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -111.267092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.267092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.267092 (E_RNA)
where:
Base-Base interactions energy: -49.641
where: short stacking energy: -23.113
Base-Backbone interact. energy: -0.061
local terms energy: -61.565119
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -290.826868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.826868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.826868 (E_RNA)
where:
Base-Base interactions energy: -189.783
where: short stacking energy: -83.738
Base-Backbone interact. energy: -0.881
local terms energy: -100.162447
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -23.648
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: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -277.031559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.031559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.031559 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -80.711
Base-Backbone interact. energy: -0.072
local terms energy: -95.860602
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -13.111
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -281.282730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.282730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.282730 (E_RNA)
where:
Base-Base interactions energy: -188.499
where: short stacking energy: -76.229
Base-Backbone interact. energy: -0.405
local terms energy: -92.378575
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -10.057
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: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -207.438864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.438864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438864 (E_RNA)
where:
Base-Base interactions energy: -122.812
where: short stacking energy: -62.803
Base-Backbone interact. energy: -0.090
local terms energy: -84.537539
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -218.812775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.812775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.812775 (E_RNA)
where:
Base-Base interactions energy: -133.749
where: short stacking energy: -73.793
Base-Backbone interact. energy: -1.117
local terms energy: -83.946794
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -230.468513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.468513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.468513 (E_RNA)
where:
Base-Base interactions energy: -149.362
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.980
local terms energy: -80.126618
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -200.022679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.022679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.022679 (E_RNA)
where:
Base-Base interactions energy: -139.647
where: short stacking energy: -53.031
Base-Backbone interact. energy: -0.308
local terms energy: -60.068154
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -157.983606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.983606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983606 (E_RNA)
where:
Base-Base interactions energy: -83.934
where: short stacking energy: -39.596
Base-Backbone interact. energy: 0.930
local terms energy: -74.979294
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -8.925
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: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -102.256164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.256164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.256164 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.148
local terms energy: -58.565768
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -3.900
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: 111
Temperature: 1.350000
Total energy: -93.842619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842619 (E_RNA)
where:
Base-Base interactions energy: -41.169
where: short stacking energy: -29.998
Base-Backbone interact. energy: -0.468
local terms energy: -52.205887
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: 2.967
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: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -293.286827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.286827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.286827 (E_RNA)
where:
Base-Base interactions energy: -195.248
where: short stacking energy: -81.299
Base-Backbone interact. energy: -0.017
local terms energy: -98.022728
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -284.729404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.729404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.729404 (E_RNA)
where:
Base-Base interactions energy: -188.553
where: short stacking energy: -86.533
Base-Backbone interact. energy: -0.619
local terms energy: -95.556680
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -24.427
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -294.699294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.699294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.699294 (E_RNA)
where:
Base-Base interactions energy: -197.114
where: short stacking energy: -84.962
Base-Backbone interact. energy: -0.524
local terms energy: -97.062064
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -13.112
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: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -246.352308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.352308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.352308 (E_RNA)
where:
Base-Base interactions energy: -165.887
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.175
local terms energy: -80.290956
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -229.727546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.727546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.727546 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.484
local terms energy: -95.817304
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -219.127253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.127253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.127253 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.092
local terms energy: -78.296282
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -178.410252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.410252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.410252 (E_RNA)
where:
Base-Base interactions energy: -107.670
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.018
local terms energy: -70.722620
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -187.068061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.068061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.068061 (E_RNA)
where:
Base-Base interactions energy: -125.948
where: short stacking energy: -46.876
Base-Backbone interact. energy: 0.331
local terms energy: -61.450572
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -99.171339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.171339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.171339 (E_RNA)
where:
Base-Base interactions energy: -48.821
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.461
local terms energy: -49.889514
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -88.510149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.510149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.510149 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -19.489
Base-Backbone interact. energy: -0.271
local terms energy: -52.780976
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -4.745
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: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -293.340842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.340842 (E_RNA)
where:
Base-Base interactions energy: -199.983
where: short stacking energy: -89.263
Base-Backbone interact. energy: -0.923
local terms energy: -92.433940
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -26.669
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: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -293.579830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.579830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.579830 (E_RNA)
where:
Base-Base interactions energy: -205.836
where: short stacking energy: -88.697
Base-Backbone interact. energy: 0.153
local terms energy: -87.897177
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -24.334
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: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -283.153624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.153624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.153624 (E_RNA)
where:
Base-Base interactions energy: -192.947
where: short stacking energy: -89.393
Base-Backbone interact. energy: -1.188
local terms energy: -89.018866
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -13.307
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -254.289146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.289146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.289146 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -57.834
Base-Backbone interact. energy: -2.947
local terms energy: -87.688304
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -13.634
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: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -227.669129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.669129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.669129 (E_RNA)
where:
Base-Base interactions energy: -135.239
where: short stacking energy: -70.677
Base-Backbone interact. energy: 1.289
local terms energy: -93.719083
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -228.795310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.795310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.795310 (E_RNA)
where:
Base-Base interactions energy: -156.013
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.069
local terms energy: -72.713588
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -211.266701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.266701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266701 (E_RNA)
where:
Base-Base interactions energy: -132.961
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.151
local terms energy: -78.155117
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -200.611847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.611847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.611847 (E_RNA)
where:
Base-Base interactions energy: -132.507
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.229
local terms energy: -67.876458
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -11.335
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: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -106.600421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600421 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.273
local terms energy: -59.156286
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -119.585387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.585387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.585387 (E_RNA)
where:
Base-Base interactions energy: -60.961
where: short stacking energy: -27.926
Base-Backbone interact. energy: -0.218
local terms energy: -58.406093
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -292.907385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.907385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.907385 (E_RNA)
where:
Base-Base interactions energy: -197.171
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.498
local terms energy: -95.238543
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -290.405180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.405180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.405180 (E_RNA)
where:
Base-Base interactions energy: -202.343
where: short stacking energy: -85.066
Base-Backbone interact. energy: -0.213
local terms energy: -87.848659
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -235.434518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.434518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.434518 (E_RNA)
where:
Base-Base interactions energy: -167.163
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.202
local terms energy: -68.069690
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -280.482524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.482524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.482524 (E_RNA)
where:
Base-Base interactions energy: -187.870
where: short stacking energy: -82.369
Base-Backbone interact. energy: -0.747
local terms energy: -91.865844
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -24.202
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: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -245.583098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.583098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.583098 (E_RNA)
where:
Base-Base interactions energy: -161.801
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.631
local terms energy: -83.151785
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -213.023035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.023035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.023035 (E_RNA)
where:
Base-Base interactions energy: -132.669
where: short stacking energy: -64.785
Base-Backbone interact. energy: 0.390
local terms energy: -80.744181
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -220.920076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.920076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920076 (E_RNA)
where:
Base-Base interactions energy: -138.210
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.144
local terms energy: -82.565893
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -19.668
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: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -192.720652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.720652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.720652 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -49.336
Base-Backbone interact. energy: -1.416
local terms energy: -66.057651
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -124.688070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.688070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.688070 (E_RNA)
where:
Base-Base interactions energy: -61.859
where: short stacking energy: -23.408
Base-Backbone interact. energy: 2.043
local terms energy: -64.872163
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -93.116811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116811 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.472
local terms energy: -61.139264
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -288.162038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.162038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.162038 (E_RNA)
where:
Base-Base interactions energy: -185.513
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.038
local terms energy: -102.611452
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -23.083
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: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -289.203453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.203453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.203453 (E_RNA)
where:
Base-Base interactions energy: -194.239
where: short stacking energy: -83.272
Base-Backbone interact. energy: 1.073
local terms energy: -96.037322
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -250.328990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.328990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.328990 (E_RNA)
where:
Base-Base interactions energy: -167.852
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.112
local terms energy: -82.365282
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.543
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -289.365143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.365143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.365143 (E_RNA)
where:
Base-Base interactions energy: -197.106
where: short stacking energy: -81.530
Base-Backbone interact. energy: 1.200
local terms energy: -93.458888
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -246.412837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.412837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.412837 (E_RNA)
where:
Base-Base interactions energy: -169.049
where: short stacking energy: -59.006
Base-Backbone interact. energy: -1.146
local terms energy: -76.218359
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -214.750530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.750530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.750530 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.192
local terms energy: -80.688626
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -196.302360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.302360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.302360 (E_RNA)
where:
Base-Base interactions energy: -111.980
where: short stacking energy: -54.954
Base-Backbone interact. energy: 0.550
local terms energy: -84.871815
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -195.331986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.331986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.331986 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.209
local terms energy: -71.082011
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -108.857000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.857000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.857000 (E_RNA)
where:
Base-Base interactions energy: -53.718
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.280
local terms energy: -54.858673
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -0.979
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: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -85.952718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.952718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.952718 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.110
local terms energy: -60.490006
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -0.881
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: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -288.778791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.778791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.778791 (E_RNA)
where:
Base-Base interactions energy: -191.500
where: short stacking energy: -81.046
Base-Backbone interact. energy: -0.690
local terms energy: -96.588748
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -13.220
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: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -292.754572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.754572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.754572 (E_RNA)
where:
Base-Base interactions energy: -199.582
where: short stacking energy: -88.633
Base-Backbone interact. energy: 0.210
local terms energy: -93.382877
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -290.599399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.599399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.599399 (E_RNA)
where:
Base-Base interactions energy: -200.045
where: short stacking energy: -85.574
Base-Backbone interact. energy: -0.447
local terms energy: -90.106986
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -11.046
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -254.441300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.441300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.441300 (E_RNA)
where:
Base-Base interactions energy: -169.992
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.106
local terms energy: -84.343401
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -216.071023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.071023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.071023 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -60.677
Base-Backbone interact. energy: 1.453
local terms energy: -69.899592
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -256.114153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.114153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.114153 (E_RNA)
where:
Base-Base interactions energy: -177.358
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.525
local terms energy: -78.231153
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.376
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: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -210.223864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223864 (E_RNA)
where:
Base-Base interactions energy: -134.495
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.198
local terms energy: -75.531370
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -15.592
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: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -168.070458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.070458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070458 (E_RNA)
where:
Base-Base interactions energy: -108.010
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.267
local terms energy: -59.793102
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.747
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: 116
Temperature: 1.300000
Total energy: -116.055105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.055105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.055105 (E_RNA)
where:
Base-Base interactions energy: -54.751
where: short stacking energy: -38.851
Base-Backbone interact. energy: 0.996
local terms energy: -62.299465
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -4.658
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: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -116.340858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.340858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.340858 (E_RNA)
where:
Base-Base interactions energy: -46.300
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.359
local terms energy: -69.682068
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -290.495976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.495976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.495976 (E_RNA)
where:
Base-Base interactions energy: -191.188
where: short stacking energy: -90.095
Base-Backbone interact. energy: -0.440
local terms energy: -98.868548
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -294.152181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.152181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.152181 (E_RNA)
where:
Base-Base interactions energy: -195.328
where: short stacking energy: -86.460
Base-Backbone interact. energy: -0.051
local terms energy: -98.772948
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -28.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -289.495783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.495783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.495783 (E_RNA)
where:
Base-Base interactions energy: -190.245
where: short stacking energy: -87.126
Base-Backbone interact. energy: -0.092
local terms energy: -99.158934
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -23.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -284.291645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.291645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.291645 (E_RNA)
where:
Base-Base interactions energy: -208.469
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.102
local terms energy: -75.720816
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -215.948861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.948861 (E_RNA)
where:
Base-Base interactions energy: -137.161
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.874
local terms energy: -77.913365
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -219.904237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.904237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.904237 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -62.448
Base-Backbone interact. energy: -1.663
local terms energy: -80.885309
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -220.917577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.917577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.917577 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.698
local terms energy: -73.401406
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -136.779112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.779112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.779112 (E_RNA)
where:
Base-Base interactions energy: -78.159
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.716
local terms energy: -57.903913
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -159.864744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.864744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.864744 (E_RNA)
where:
Base-Base interactions energy: -94.706
where: short stacking energy: -47.011
Base-Backbone interact. energy: -0.220
local terms energy: -64.939209
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -6.275
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: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -121.850627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.850627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.850627 (E_RNA)
where:
Base-Base interactions energy: -62.108
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.654
local terms energy: -59.089505
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -289.273603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.273603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.273603 (E_RNA)
where:
Base-Base interactions energy: -198.794
where: short stacking energy: -85.349
Base-Backbone interact. energy: -0.480
local terms energy: -89.999908
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -27.317
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: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -291.919401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.919401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.919401 (E_RNA)
where:
Base-Base interactions energy: -191.935
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.231
local terms energy: -99.753819
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -287.180348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.180348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.180348 (E_RNA)
where:
Base-Base interactions energy: -199.605
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.096
local terms energy: -87.478629
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -15.397
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: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -271.560181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.560181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.560181 (E_RNA)
where:
Base-Base interactions energy: -182.848
where: short stacking energy: -77.078
Base-Backbone interact. energy: -0.001
local terms energy: -88.711013
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -11.817
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: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -233.824203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.824203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.824203 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.626
local terms energy: -88.811370
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -25.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -206.189509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.189509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.189509 (E_RNA)
where:
Base-Base interactions energy: -123.141
where: short stacking energy: -54.186
Base-Backbone interact. energy: -0.890
local terms energy: -82.158772
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -214.933045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.933045 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.045
local terms energy: -81.140723
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -161.362735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.362735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.362735 (E_RNA)
where:
Base-Base interactions energy: -98.518
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.163
local terms energy: -62.681804
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -162.154176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.154176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.154176 (E_RNA)
where:
Base-Base interactions energy: -88.667
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.158
local terms energy: -73.328443
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -148.567327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.567327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.567327 (E_RNA)
where:
Base-Base interactions energy: -98.183
where: short stacking energy: -41.213
Base-Backbone interact. energy: 1.936
local terms energy: -52.321025
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -4.044
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -8.206
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: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -286.526479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.526479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.526479 (E_RNA)
where:
Base-Base interactions energy: -195.762
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.081
local terms energy: -90.682818
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.933
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: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -290.611463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.611463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.611463 (E_RNA)
where:
Base-Base interactions energy: -200.411
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.121
local terms energy: -90.079585
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -278.761060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.761060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.761060 (E_RNA)
where:
Base-Base interactions energy: -195.893
where: short stacking energy: -79.283
Base-Backbone interact. energy: -0.185
local terms energy: -82.682651
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -240.551918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.551918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.551918 (E_RNA)
where:
Base-Base interactions energy: -159.445
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.286
local terms energy: -80.821087
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -266.140692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.140692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.140692 (E_RNA)
where:
Base-Base interactions energy: -184.590
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.126
local terms energy: -81.423803
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -217.350886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350886 (E_RNA)
where:
Base-Base interactions energy: -137.241
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.001
local terms energy: -80.107988
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -202.379413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.379413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.379413 (E_RNA)
where:
Base-Base interactions energy: -133.062
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.230
local terms energy: -69.087241
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -147.875220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.875220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.875220 (E_RNA)
where:
Base-Base interactions energy: -78.958
where: short stacking energy: -42.232
Base-Backbone interact. energy: -0.385
local terms energy: -68.532333
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -99.554978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.554978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.554978 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -23.146
Base-Backbone interact. energy: 0.884
local terms energy: -52.347580
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -173.054106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.054106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.054106 (E_RNA)
where:
Base-Base interactions energy: -111.415
where: short stacking energy: -50.160
Base-Backbone interact. energy: -0.691
local terms energy: -60.948496
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -8.414
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -298.393557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.393557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.393557 (E_RNA)
where:
Base-Base interactions energy: -194.917
where: short stacking energy: -75.170
Base-Backbone interact. energy: -0.176
local terms energy: -103.300562
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -291.152910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.152910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.152910 (E_RNA)
where:
Base-Base interactions energy: -199.893
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.261
local terms energy: -90.998936
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -19.279
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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -287.288098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.288098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.288098 (E_RNA)
where:
Base-Base interactions energy: -189.005
where: short stacking energy: -82.005
Base-Backbone interact. energy: -0.122
local terms energy: -98.160713
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -243.410046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.410046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.410046 (E_RNA)
where:
Base-Base interactions energy: -152.447
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.254
local terms energy: -90.709346
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -228.504781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.504781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.504781 (E_RNA)
where:
Base-Base interactions energy: -154.629
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.573
local terms energy: -73.302606
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -21.007
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -251.609771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.609771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.609771 (E_RNA)
where:
Base-Base interactions energy: -159.201
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.133
local terms energy: -92.275856
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -23.821
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: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -209.628838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628838 (E_RNA)
where:
Base-Base interactions energy: -132.705
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.437
local terms energy: -76.486277
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -154.134438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.134438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.134438 (E_RNA)
where:
Base-Base interactions energy: -86.849
where: short stacking energy: -35.560
Base-Backbone interact. energy: 0.733
local terms energy: -68.019080
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -193.986609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986609 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.056
local terms energy: -71.122345
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -107.309216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.309216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.309216 (E_RNA)
where:
Base-Base interactions energy: -62.579
where: short stacking energy: -27.126
Base-Backbone interact. energy: -0.501
local terms energy: -44.228739
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -0.664
tors. eta vs tors. theta energy: 3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -297.323586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.323586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.323586 (E_RNA)
where:
Base-Base interactions energy: -200.797
where: short stacking energy: -82.511
Base-Backbone interact. energy: 0.862
local terms energy: -97.388549
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -22.789
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: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -288.706089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.706089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.706089 (E_RNA)
where:
Base-Base interactions energy: -198.281
where: short stacking energy: -75.073
Base-Backbone interact. energy: -0.729
local terms energy: -89.696488
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -274.937206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.937206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.937206 (E_RNA)
where:
Base-Base interactions energy: -189.763
where: short stacking energy: -77.436
Base-Backbone interact. energy: -1.292
local terms energy: -83.882870
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -237.143938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.143938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.143938 (E_RNA)
where:
Base-Base interactions energy: -150.136
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.327
local terms energy: -86.680518
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -18.429
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: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -229.156654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.156654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.156654 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.067
local terms energy: -83.368282
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -20.604
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: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -205.843292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.843292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.843292 (E_RNA)
where:
Base-Base interactions energy: -125.192
where: short stacking energy: -62.359
Base-Backbone interact. energy: 0.497
local terms energy: -81.148492
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -234.495405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.495405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.495405 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.292
local terms energy: -80.429534
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -148.739866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.739866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.739866 (E_RNA)
where:
Base-Base interactions energy: -89.062
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.276
local terms energy: -59.402205
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -169.627927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.627927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.627927 (E_RNA)
where:
Base-Base interactions energy: -94.050
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.501
local terms energy: -75.076776
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -150.431924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.431924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.431924 (E_RNA)
where:
Base-Base interactions energy: -98.163
where: short stacking energy: -45.861
Base-Backbone interact. energy: 2.885
local terms energy: -55.154331
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -290.486376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.486376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.486376 (E_RNA)
where:
Base-Base interactions energy: -198.073
where: short stacking energy: -85.222
Base-Backbone interact. energy: -0.982
local terms energy: -91.431949
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -257.379057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.379057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.379057 (E_RNA)
where:
Base-Base interactions energy: -178.345
where: short stacking energy: -55.065
Base-Backbone interact. energy: -0.704
local terms energy: -78.330420
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -253.385921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.385921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.385921 (E_RNA)
where:
Base-Base interactions energy: -165.072
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.404
local terms energy: -87.909525
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -24.057
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: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -280.661611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.661611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.661611 (E_RNA)
where:
Base-Base interactions energy: -189.017
where: short stacking energy: -83.765
Base-Backbone interact. energy: -0.027
local terms energy: -91.617567
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -20.497
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: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -233.806317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.806317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.806317 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -63.827
Base-Backbone interact. energy: 0.248
local terms energy: -82.230520
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -21.633
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: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -197.820258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820258 (E_RNA)
where:
Base-Base interactions energy: -117.514
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.049
local terms energy: -80.256870
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -228.066621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.066621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.066621 (E_RNA)
where:
Base-Base interactions energy: -148.071
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.061
local terms energy: -79.934744
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -166.287653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.287653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287653 (E_RNA)
where:
Base-Base interactions energy: -89.795
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.038
local terms energy: -76.454480
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -14.430
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: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -162.827984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.827984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.827984 (E_RNA)
where:
Base-Base interactions energy: -101.943
where: short stacking energy: -44.652
Base-Backbone interact. energy: -0.210
local terms energy: -60.674612
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -149.832181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.832181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.832181 (E_RNA)
where:
Base-Base interactions energy: -83.602
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.724
local terms energy: -65.506045
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -295.504272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.504272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.504272 (E_RNA)
where:
Base-Base interactions energy: -200.452
where: short stacking energy: -84.634
Base-Backbone interact. energy: -0.421
local terms energy: -94.631187
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -276.449281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.449281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.449281 (E_RNA)
where:
Base-Base interactions energy: -191.442
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.195
local terms energy: -84.812406
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -249.979593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.979593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.979593 (E_RNA)
where:
Base-Base interactions energy: -170.902
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.368
local terms energy: -78.709787
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -274.532272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.532272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.532272 (E_RNA)
where:
Base-Base interactions energy: -190.409
where: short stacking energy: -81.896
Base-Backbone interact. energy: -0.099
local terms energy: -84.024581
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -11.955
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -227.516686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.516686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.516686 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.314
local terms energy: -83.917293
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -237.202170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.202170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.202170 (E_RNA)
where:
Base-Base interactions energy: -154.290
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.007
local terms energy: -82.905546
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -212.431296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.431296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.431296 (E_RNA)
where:
Base-Base interactions energy: -141.453
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.138
local terms energy: -70.840030
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -206.582190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582190 (E_RNA)
where:
Base-Base interactions energy: -130.010
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.107
local terms energy: -76.464792
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -141.894224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.894224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.894224 (E_RNA)
where:
Base-Base interactions energy: -80.809
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.163
local terms energy: -60.922360
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -160.240515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.240515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.240515 (E_RNA)
where:
Base-Base interactions energy: -85.537
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.551
local terms energy: -74.152220
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -272.880715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.880715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.880715 (E_RNA)
where:
Base-Base interactions energy: -192.874
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.181
local terms energy: -79.826217
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -11.899
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: 124
Temperature: 0.950000
Total energy: -290.643020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.643020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.643020 (E_RNA)
where:
Base-Base interactions energy: -193.851
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.817
local terms energy: -95.974651
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -20.519
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -281.515004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.515004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.515004 (E_RNA)
where:
Base-Base interactions energy: -190.509
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.061
local terms energy: -90.944680
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -23.507
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: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -253.618561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.618561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.618561 (E_RNA)
where:
Base-Base interactions energy: -168.757
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.336
local terms energy: -84.525276
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -224.498837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.498837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.498837 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.320
local terms energy: -77.665720
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -10.465
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -207.923941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.923941 (E_RNA)
where:
Base-Base interactions energy: -136.135
where: short stacking energy: -58.776
Base-Backbone interact. energy: 0.004
local terms energy: -71.792851
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -9.074
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: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -195.460332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.460332 (E_RNA)
where:
Base-Base interactions energy: -116.089
where: short stacking energy: -54.041
Base-Backbone interact. energy: 1.496
local terms energy: -80.867982
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -211.389140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.389140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.389140 (E_RNA)
where:
Base-Base interactions energy: -135.663
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.102
local terms energy: -75.623373
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -151.842718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.842718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.842718 (E_RNA)
where:
Base-Base interactions energy: -92.010
where: short stacking energy: -48.362
Base-Backbone interact. energy: 0.255
local terms energy: -60.088195
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -2.187
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: 124
Temperature: 1.350000
Total energy: -152.417625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.417625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.417625 (E_RNA)
where:
Base-Base interactions energy: -83.088
where: short stacking energy: -48.498
Base-Backbone interact. energy: -0.656
local terms energy: -68.673602
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -262.310862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.310862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.310862 (E_RNA)
where:
Base-Base interactions energy: -183.641
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.239
local terms energy: -78.430758
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -285.241877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.241877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.241877 (E_RNA)
where:
Base-Base interactions energy: -192.670
where: short stacking energy: -80.813
Base-Backbone interact. energy: -1.281
local terms energy: -91.290550
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.911
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: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -280.202344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.202344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.202344 (E_RNA)
where:
Base-Base interactions energy: -188.901
where: short stacking energy: -85.268
Base-Backbone interact. energy: -0.226
local terms energy: -91.075786
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -24.093
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: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -235.523100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.523100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.523100 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -71.619
Base-Backbone interact. energy: -0.306
local terms energy: -93.053284
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -244.988804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.988804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.988804 (E_RNA)
where:
Base-Base interactions energy: -167.358
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.704
local terms energy: -76.927042
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -210.299445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.299445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.299445 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.324
local terms energy: -82.565621
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -241.258480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.258480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.258480 (E_RNA)
where:
Base-Base interactions energy: -165.091
where: short stacking energy: -69.483
Base-Backbone interact. energy: 0.052
local terms energy: -76.220083
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -18.742
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: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -178.152296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152296 (E_RNA)
where:
Base-Base interactions energy: -99.533
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.279
local terms energy: -78.339750
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.199
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: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -169.793874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.793874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.793874 (E_RNA)
where:
Base-Base interactions energy: -106.224
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.173
local terms energy: -63.396827
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -168.921860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.921860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.921860 (E_RNA)
where:
Base-Base interactions energy: -96.648
where: short stacking energy: -43.180
Base-Backbone interact. energy: -0.172
local terms energy: -72.101096
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -284.870201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.870201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.870201 (E_RNA)
where:
Base-Base interactions energy: -187.894
where: short stacking energy: -83.356
Base-Backbone interact. energy: -0.813
local terms energy: -96.162784
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -257.591967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.591967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.591967 (E_RNA)
where:
Base-Base interactions energy: -171.276
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.354
local terms energy: -85.962013
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -275.926409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.926409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.926409 (E_RNA)
where:
Base-Base interactions energy: -183.951
where: short stacking energy: -82.335
Base-Backbone interact. energy: -0.281
local terms energy: -91.694521
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -246.646070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.646070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.646070 (E_RNA)
where:
Base-Base interactions energy: -161.028
where: short stacking energy: -77.566
Base-Backbone interact. energy: 1.048
local terms energy: -86.665614
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -231.641904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.641904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.641904 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.221
local terms energy: -76.988736
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -227.026639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.026639 (E_RNA)
where:
Base-Base interactions energy: -149.399
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.198
local terms energy: -77.430160
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -252.073154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.073154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.073154 (E_RNA)
where:
Base-Base interactions energy: -166.159
where: short stacking energy: -77.683
Base-Backbone interact. energy: -0.082
local terms energy: -85.832378
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -22.351
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: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -198.335752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.335752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.335752 (E_RNA)
where:
Base-Base interactions energy: -125.230
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.157
local terms energy: -72.947938
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -11.928
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: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -189.863272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.863272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.863272 (E_RNA)
where:
Base-Base interactions energy: -114.421
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.223
local terms energy: -75.219938
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -11.740
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: 126
Temperature: 1.350000
Total energy: -120.294499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.294499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.294499 (E_RNA)
where:
Base-Base interactions energy: -62.801
where: short stacking energy: -31.290
Base-Backbone interact. energy: 0.116
local terms energy: -57.610385
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -9.572
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: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -296.818534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.818534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.818534 (E_RNA)
where:
Base-Base interactions energy: -196.726
where: short stacking energy: -84.629
Base-Backbone interact. energy: -0.551
local terms energy: -99.541366
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -26.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -276.164994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.164994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.164994 (E_RNA)
where:
Base-Base interactions energy: -189.231
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.445
local terms energy: -86.489763
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -235.122700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.122700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.122700 (E_RNA)
where:
Base-Base interactions energy: -165.522
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.177
local terms energy: -69.423883
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -228.800876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.800876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.800876 (E_RNA)
where:
Base-Base interactions energy: -139.591
where: short stacking energy: -66.227
Base-Backbone interact. energy: 0.963
local terms energy: -90.173147
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -16.502
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: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -230.985930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.985930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.985930 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.023
local terms energy: -75.974668
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -16.489
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: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -231.844010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.844010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.844010 (E_RNA)
where:
Base-Base interactions energy: -152.152
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.334
local terms energy: -79.357884
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -171.364925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.364925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.364925 (E_RNA)
where:
Base-Base interactions energy: -109.792
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.150
local terms energy: -61.423386
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -189.169426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.169426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.169426 (E_RNA)
where:
Base-Base interactions energy: -118.312
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.467
local terms energy: -70.390725
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -197.928695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.928695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.928695 (E_RNA)
where:
Base-Base interactions energy: -125.906
where: short stacking energy: -55.349
Base-Backbone interact. energy: -0.017
local terms energy: -72.005896
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -14.935
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -96.935332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.935332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.935332 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -31.659
Base-Backbone interact. energy: 1.049
local terms energy: -56.091572
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: 0.877
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: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -301.376822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.376822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.376822 (E_RNA)
where:
Base-Base interactions energy: -209.581
where: short stacking energy: -96.602
Base-Backbone interact. energy: -0.582
local terms energy: -91.213806
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -278.822067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.822067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.822067 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.101
local terms energy: -94.156880
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -240.278856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.278856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.278856 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -67.840
Base-Backbone interact. energy: 0.141
local terms energy: -92.086593
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -236.220551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.220551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.220551 (E_RNA)
where:
Base-Base interactions energy: -174.072
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.217
local terms energy: -61.931022
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -7.712
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: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -217.499149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.499149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.499149 (E_RNA)
where:
Base-Base interactions energy: -143.408
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.648
local terms energy: -73.443885
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -11.909
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: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -239.025084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.025084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.025084 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -74.837
Base-Backbone interact. energy: -0.548
local terms energy: -82.746644
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -195.237626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.237626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.237626 (E_RNA)
where:
Base-Base interactions energy: -115.301
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.008
local terms energy: -79.928968
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -15.759
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: 128
Temperature: 1.250000
Total energy: -174.371673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.371673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.371673 (E_RNA)
where:
Base-Base interactions energy: -100.769
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.615
local terms energy: -72.988036
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -97.598832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598832 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.474
local terms energy: -61.012458
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -179.710548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.710548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.710548 (E_RNA)
where:
Base-Base interactions energy: -104.562
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.605
local terms energy: -74.542834
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -11.789
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: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -295.384967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.384967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.384967 (E_RNA)
where:
Base-Base interactions energy: -194.518
where: short stacking energy: -88.683
Base-Backbone interact. energy: -0.197
local terms energy: -100.670066
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -282.278818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.278818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.278818 (E_RNA)
where:
Base-Base interactions energy: -182.520
where: short stacking energy: -79.568
Base-Backbone interact. energy: -0.731
local terms energy: -99.027117
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -254.009474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.009474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.009474 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -79.660
Base-Backbone interact. energy: -0.029
local terms energy: -92.014125
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -231.482868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.482868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.482868 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -80.740
Base-Backbone interact. energy: -0.004
local terms energy: -90.011230
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -25.244
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: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -242.840853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.840853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.840853 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -43.742
Base-Backbone interact. energy: -1.720
local terms energy: -74.846446
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -193.448445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.448445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.448445 (E_RNA)
where:
Base-Base interactions energy: -116.324
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.021
local terms energy: -77.103669
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -198.380186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380186 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.012
local terms energy: -71.357765
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -135.828257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.828257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.828257 (E_RNA)
where:
Base-Base interactions energy: -74.940
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.253
local terms energy: -60.635043
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -97.878338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.878338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.878338 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.219
local terms energy: -62.513229
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -172.502397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.502397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.502397 (E_RNA)
where:
Base-Base interactions energy: -112.495
where: short stacking energy: -44.131
Base-Backbone interact. energy: -0.491
local terms energy: -59.516000
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -6.218
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -301.455245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.455245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.455245 (E_RNA)
where:
Base-Base interactions energy: -200.179
where: short stacking energy: -86.676
Base-Backbone interact. energy: -0.012
local terms energy: -101.264290
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -273.782783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.782783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.782783 (E_RNA)
where:
Base-Base interactions energy: -182.670
where: short stacking energy: -77.406
Base-Backbone interact. energy: -1.044
local terms energy: -90.068721
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -237.685492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.685492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.685492 (E_RNA)
where:
Base-Base interactions energy: -150.674
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.047
local terms energy: -86.964237
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -235.672357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.672357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.672357 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.696
local terms energy: -87.821639
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -224.554499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.554499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.554499 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -55.954
Base-Backbone interact. energy: -0.329
local terms energy: -82.689480
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -190.766499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.766499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.766499 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.858
local terms energy: -76.292685
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -204.880700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.880700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.880700 (E_RNA)
where:
Base-Base interactions energy: -124.475
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.019
local terms energy: -80.386644
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -10.461
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -122.156908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.156908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.156908 (E_RNA)
where:
Base-Base interactions energy: -63.041
where: short stacking energy: -28.824
Base-Backbone interact. energy: 4.373
local terms energy: -63.488930
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -159.593594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.593594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.593594 (E_RNA)
where:
Base-Base interactions energy: -95.392
where: short stacking energy: -52.213
Base-Backbone interact. energy: 1.299
local terms energy: -65.500572
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -4.740
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: 130
Temperature: 1.350000
Total energy: -85.782444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.782444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.782444 (E_RNA)
where:
Base-Base interactions energy: -21.860
where: short stacking energy: -22.658
Base-Backbone interact. energy: 0.062
local terms energy: -63.984869
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -307.634332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.634332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.634332 (E_RNA)
where:
Base-Base interactions energy: -205.943
where: short stacking energy: -87.951
Base-Backbone interact. energy: -0.459
local terms energy: -101.231954
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -271.707141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.707141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.707141 (E_RNA)
where:
Base-Base interactions energy: -185.489
where: short stacking energy: -78.557
Base-Backbone interact. energy: 1.913
local terms energy: -88.131417
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -19.222
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: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -249.246399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.246399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.246399 (E_RNA)
where:
Base-Base interactions energy: -161.842
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.057
local terms energy: -87.347012
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -223.858286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.858286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.858286 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -48.571
Base-Backbone interact. energy: -0.922
local terms energy: -75.882792
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -230.130933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.130933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.130933 (E_RNA)
where:
Base-Base interactions energy: -153.022
where: short stacking energy: -67.632
Base-Backbone interact. energy: 0.461
local terms energy: -77.569794
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -18.583
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: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -197.185889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.185889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.185889 (E_RNA)
where:
Base-Base interactions energy: -122.348
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.326
local terms energy: -74.511909
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -182.898651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.898651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.898651 (E_RNA)
where:
Base-Base interactions energy: -107.955
where: short stacking energy: -50.084
Base-Backbone interact. energy: -0.118
local terms energy: -74.825701
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -10.472
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: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -134.783803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.783803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.783803 (E_RNA)
where:
Base-Base interactions energy: -71.505
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.262
local terms energy: -63.016454
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -104.989620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.989620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.989620 (E_RNA)
where:
Base-Base interactions energy: -49.684
where: short stacking energy: -30.006
Base-Backbone interact. energy: 0.178
local terms energy: -55.483007
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -5.930
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: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -96.115381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.115381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.115381 (E_RNA)
where:
Base-Base interactions energy: -32.901
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.924
local terms energy: -62.289872
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -298.051886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.051886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.051886 (E_RNA)
where:
Base-Base interactions energy: -203.524
where: short stacking energy: -76.443
Base-Backbone interact. energy: -1.124
local terms energy: -93.403107
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -288.550565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.550565 (E_RNA)
where:
Base-Base interactions energy: -194.419
where: short stacking energy: -75.672
Base-Backbone interact. energy: -0.300
local terms energy: -93.831691
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -262.029201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.029201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.029201 (E_RNA)
where:
Base-Base interactions energy: -178.188
where: short stacking energy: -65.513
Base-Backbone interact. energy: 5.222
local terms energy: -89.063179
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -240.666138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.666138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.666138 (E_RNA)
where:
Base-Base interactions energy: -154.793
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.424
local terms energy: -85.448591
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -204.088542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.088542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.088542 (E_RNA)
where:
Base-Base interactions energy: -129.921
where: short stacking energy: -47.648
Base-Backbone interact. energy: -0.559
local terms energy: -73.608714
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.845
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: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -217.868178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.868178 (E_RNA)
where:
Base-Base interactions energy: -142.092
where: short stacking energy: -61.136
Base-Backbone interact. energy: 0.919
local terms energy: -76.694831
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -7.973
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: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -151.715761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.715761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.715761 (E_RNA)
where:
Base-Base interactions energy: -94.245
where: short stacking energy: -37.721
Base-Backbone interact. energy: 1.414
local terms energy: -58.884014
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -112.474251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.474251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.474251 (E_RNA)
where:
Base-Base interactions energy: -59.758
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.351
local terms energy: -52.365313
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -101.690876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.690876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.690876 (E_RNA)
where:
Base-Base interactions energy: -40.806
where: short stacking energy: -33.176
Base-Backbone interact. energy: 0.846
local terms energy: -61.731079
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -93.800038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.800038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.800038 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -31.857
Base-Backbone interact. energy: -0.087
local terms energy: -57.100349
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: 1.228
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -301.581051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.581051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.581051 (E_RNA)
where:
Base-Base interactions energy: -207.047
where: short stacking energy: -85.487
Base-Backbone interact. energy: -0.096
local terms energy: -94.437983
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -293.559650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.559650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.559650 (E_RNA)
where:
Base-Base interactions energy: -193.785
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.392
local terms energy: -99.382559
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -14.366
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: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -262.225482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.225482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.225482 (E_RNA)
where:
Base-Base interactions energy: -177.480
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.830
local terms energy: -83.915487
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -262.899018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.899018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.899018 (E_RNA)
where:
Base-Base interactions energy: -170.487
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.098
local terms energy: -92.313856
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -212.137535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.137535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.137535 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.696
local terms energy: -76.060786
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -12.245
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: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -205.235906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.235906 (E_RNA)
where:
Base-Base interactions energy: -132.211
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.535
local terms energy: -72.489539
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -136.290222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.290222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.290222 (E_RNA)
where:
Base-Base interactions energy: -71.059
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.302
local terms energy: -64.929387
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -99.739084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.739084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.739084 (E_RNA)
where:
Base-Base interactions energy: -40.275
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.483
local terms energy: -58.981474
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -2.294
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: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -95.349928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.349928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.349928 (E_RNA)
where:
Base-Base interactions energy: -26.585
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.205
local terms energy: -68.560012
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -97.300647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.300647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.300647 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -28.367
Base-Backbone interact. energy: 0.077
local terms energy: -58.576810
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -302.619355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.619355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.619355 (E_RNA)
where:
Base-Base interactions energy: -203.546
where: short stacking energy: -88.321
Base-Backbone interact. energy: -0.152
local terms energy: -98.921375
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -24.080
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: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -281.697737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.697737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.697737 (E_RNA)
where:
Base-Base interactions energy: -194.577
where: short stacking energy: -88.502
Base-Backbone interact. energy: -0.148
local terms energy: -86.972931
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -243.539080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.539080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.539080 (E_RNA)
where:
Base-Base interactions energy: -157.648
where: short stacking energy: -71.690
Base-Backbone interact. energy: -1.024
local terms energy: -84.867318
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -225.507777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.507777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.507777 (E_RNA)
where:
Base-Base interactions energy: -150.191
where: short stacking energy: -65.766
Base-Backbone interact. energy: -0.278
local terms energy: -75.038377
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -193.729891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.729891 (E_RNA)
where:
Base-Base interactions energy: -119.081
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.431
local terms energy: -74.217707
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -214.500671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.500671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.500671 (E_RNA)
where:
Base-Base interactions energy: -139.974
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.175
local terms energy: -74.351766
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -164.687364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.687364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.687364 (E_RNA)
where:
Base-Base interactions energy: -98.838
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.444
local terms energy: -65.405314
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -101.089420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.089420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.089420 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -41.388
Base-Backbone interact. energy: -0.343
local terms energy: -59.358602
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -108.949918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.949918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.949918 (E_RNA)
where:
Base-Base interactions energy: -46.720
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.404
local terms energy: -61.826091
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -105.614215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.614215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.614215 (E_RNA)
where:
Base-Base interactions energy: -46.153
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.684
local terms energy: -58.777451
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -305.635851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.635851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.635851 (E_RNA)
where:
Base-Base interactions energy: -208.934
where: short stacking energy: -91.774
Base-Backbone interact. energy: -0.043
local terms energy: -96.658288
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -292.779686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.779686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.779686 (E_RNA)
where:
Base-Base interactions energy: -206.854
where: short stacking energy: -84.631
Base-Backbone interact. energy: -0.819
local terms energy: -85.107156
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -243.606129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.606129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.606129 (E_RNA)
where:
Base-Base interactions energy: -159.756
where: short stacking energy: -70.882
Base-Backbone interact. energy: -0.085
local terms energy: -83.764723
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -18.364
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: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -245.461910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.461910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.461910 (E_RNA)
where:
Base-Base interactions energy: -166.027
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.402
local terms energy: -79.032887
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -236.978467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.978467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.978467 (E_RNA)
where:
Base-Base interactions energy: -162.423
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.374
local terms energy: -74.181526
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -226.850240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.850240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.850240 (E_RNA)
where:
Base-Base interactions energy: -154.791
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.188
local terms energy: -71.871201
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -147.023521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.023521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.023521 (E_RNA)
where:
Base-Base interactions energy: -82.140
where: short stacking energy: -40.587
Base-Backbone interact. energy: -0.392
local terms energy: -64.490709
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -120.713304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.713304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.713304 (E_RNA)
where:
Base-Base interactions energy: -59.210
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.789
local terms energy: -60.714058
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.489
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: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -113.835019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.835019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.835019 (E_RNA)
where:
Base-Base interactions energy: -43.289
where: short stacking energy: -27.648
Base-Backbone interact. energy: 0.249
local terms energy: -70.794709
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -94.169163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.169163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.169163 (E_RNA)
where:
Base-Base interactions energy: -30.846
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.286
local terms energy: -63.036226
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -290.277390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.277390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.277390 (E_RNA)
where:
Base-Base interactions energy: -189.603
where: short stacking energy: -83.825
Base-Backbone interact. energy: -0.359
local terms energy: -100.315498
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -23.721
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: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -298.062384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.062384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.062384 (E_RNA)
where:
Base-Base interactions energy: -201.957
where: short stacking energy: -87.062
Base-Backbone interact. energy: -0.633
local terms energy: -95.472202
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -26.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -235.901511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.901511 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.070
local terms energy: -89.297758
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -248.872396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.872396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.872396 (E_RNA)
where:
Base-Base interactions energy: -169.002
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.349
local terms energy: -79.520920
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -224.808773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.808773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.808773 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -69.939
Base-Backbone interact. energy: 0.747
local terms energy: -77.245398
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -205.004477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.004477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.004477 (E_RNA)
where:
Base-Base interactions energy: -130.994
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.009
local terms energy: -74.002064
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -129.606099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.606099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.606099 (E_RNA)
where:
Base-Base interactions energy: -63.769
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.651
local terms energy: -65.185715
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -182.732843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732843 (E_RNA)
where:
Base-Base interactions energy: -108.387
where: short stacking energy: -56.862
Base-Backbone interact. energy: -2.406
local terms energy: -71.940055
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -22.537
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -110.820745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.820745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.820745 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.145
local terms energy: -71.315881
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -109.537505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.537505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.537505 (E_RNA)
where:
Base-Base interactions energy: -54.470
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.139
local terms energy: -54.928850
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -296.330463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.330463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.330463 (E_RNA)
where:
Base-Base interactions energy: -204.717
where: short stacking energy: -88.616
Base-Backbone interact. energy: 0.510
local terms energy: -92.124102
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -293.260971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.260971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.260971 (E_RNA)
where:
Base-Base interactions energy: -202.270
where: short stacking energy: -86.641
Base-Backbone interact. energy: -0.188
local terms energy: -90.803271
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -22.421
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: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -258.421668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.421668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.421668 (E_RNA)
where:
Base-Base interactions energy: -162.513
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.429
local terms energy: -95.479644
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -229.389279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.389279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.389279 (E_RNA)
where:
Base-Base interactions energy: -153.173
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.365
local terms energy: -75.851237
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -18.589
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -210.628442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.628442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.628442 (E_RNA)
where:
Base-Base interactions energy: -133.231
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.079
local terms energy: -77.318792
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -226.413459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.413459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.413459 (E_RNA)
where:
Base-Base interactions energy: -142.067
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.222
local terms energy: -84.124070
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -141.554943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.554943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.554943 (E_RNA)
where:
Base-Base interactions energy: -72.463
where: short stacking energy: -48.451
Base-Backbone interact. energy: -0.324
local terms energy: -68.768571
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -100.218487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.218487 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.174
local terms energy: -58.755080
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -163.677110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.677110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.677110 (E_RNA)
where:
Base-Base interactions energy: -91.535
where: short stacking energy: -49.067
Base-Backbone interact. energy: -1.010
local terms energy: -71.131903
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -89.189123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189123 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -30.646
Base-Backbone interact. energy: -0.330
local terms energy: -48.524675
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.547
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: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -302.545015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.545015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.545015 (E_RNA)
where:
Base-Base interactions energy: -203.835
where: short stacking energy: -87.626
Base-Backbone interact. energy: -1.094
local terms energy: -97.616565
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -291.144074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.144074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.144074 (E_RNA)
where:
Base-Base interactions energy: -193.928
where: short stacking energy: -81.287
Base-Backbone interact. energy: -0.396
local terms energy: -96.819922
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -263.669353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.669353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.669353 (E_RNA)
where:
Base-Base interactions energy: -179.559
where: short stacking energy: -91.561
Base-Backbone interact. energy: -0.417
local terms energy: -83.692822
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -261.481720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.481720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.481720 (E_RNA)
where:
Base-Base interactions energy: -166.884
where: short stacking energy: -87.193
Base-Backbone interact. energy: -0.405
local terms energy: -94.193191
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -25.378
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -229.170692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.170692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.170692 (E_RNA)
where:
Base-Base interactions energy: -139.987
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.097
local terms energy: -89.087087
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -204.244830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244830 (E_RNA)
where:
Base-Base interactions energy: -138.565
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.009
local terms energy: -65.671741
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -5.061
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: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -118.029281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.029281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.029281 (E_RNA)
where:
Base-Base interactions energy: -52.353
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.205
local terms energy: -65.471035
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -12.306
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: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -123.666531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.666531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.666531 (E_RNA)
where:
Base-Base interactions energy: -60.945
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.333
local terms energy: -62.388393
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: 0.654
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: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -122.346451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346451 (E_RNA)
where:
Base-Base interactions energy: -65.570
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.188
local terms energy: -56.588045
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -169.228306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.228306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.228306 (E_RNA)
where:
Base-Base interactions energy: -97.601
where: short stacking energy: -49.181
Base-Backbone interact. energy: 0.068
local terms energy: -71.695905
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -301.852243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.852243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.852243 (E_RNA)
where:
Base-Base interactions energy: -202.414
where: short stacking energy: -88.796
Base-Backbone interact. energy: -0.480
local terms energy: -98.958547
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -287.114966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.114966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.114966 (E_RNA)
where:
Base-Base interactions energy: -191.577
where: short stacking energy: -85.426
Base-Backbone interact. energy: -0.569
local terms energy: -94.968574
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -289.759090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.759090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.759090 (E_RNA)
where:
Base-Base interactions energy: -191.683
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.931
local terms energy: -97.145040
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -254.884796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.884796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.884796 (E_RNA)
where:
Base-Base interactions energy: -159.816
where: short stacking energy: -86.473
Base-Backbone interact. energy: -0.012
local terms energy: -95.057002
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -237.900458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.900458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.900458 (E_RNA)
where:
Base-Base interactions energy: -146.266
where: short stacking energy: -80.004
Base-Backbone interact. energy: -0.649
local terms energy: -90.985393
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -225.307986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.307986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.307986 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.811
local terms energy: -81.883233
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -117.853907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.853907 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -43.433
Base-Backbone interact. energy: 1.797
local terms energy: -74.353817
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -133.229802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.229802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.229802 (E_RNA)
where:
Base-Base interactions energy: -68.771
where: short stacking energy: -38.622
Base-Backbone interact. energy: -1.011
local terms energy: -63.447914
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -101.023403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.023403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.023403 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.384
local terms energy: -64.866407
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -162.515602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.515602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.515602 (E_RNA)
where:
Base-Base interactions energy: -94.179
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.409
local terms energy: -67.927749
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -12.960
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: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -301.610909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.610909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.610909 (E_RNA)
where:
Base-Base interactions energy: -198.966
where: short stacking energy: -88.273
Base-Backbone interact. energy: -1.358
local terms energy: -101.286643
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -26.641
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: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -290.441861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.441861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.441861 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.879
local terms energy: -96.259081
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -290.640956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.640956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.640956 (E_RNA)
where:
Base-Base interactions energy: -195.492
where: short stacking energy: -77.639
Base-Backbone interact. energy: -0.078
local terms energy: -95.071053
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -21.560
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -229.800136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.800136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.800136 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.404
local terms energy: -94.180491
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -235.045558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.045558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.045558 (E_RNA)
where:
Base-Base interactions energy: -147.103
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.080
local terms energy: -87.862933
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -232.111204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.111204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.111204 (E_RNA)
where:
Base-Base interactions energy: -143.687
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.174
local terms energy: -88.250313
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -137.390725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.390725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.390725 (E_RNA)
where:
Base-Base interactions energy: -75.020
where: short stacking energy: -39.615
Base-Backbone interact. energy: -0.084
local terms energy: -62.286897
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: -10.963
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: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -110.416885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.416885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.416885 (E_RNA)
where:
Base-Base interactions energy: -48.557
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.439
local terms energy: -61.420897
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -190.735914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735914 (E_RNA)
where:
Base-Base interactions energy: -126.348
where: short stacking energy: -64.118
Base-Backbone interact. energy: -0.052
local terms energy: -64.335648
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -100.351479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.351479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.351479 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.063
local terms energy: -63.591355
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -294.518262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.518262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.518262 (E_RNA)
where:
Base-Base interactions energy: -198.183
where: short stacking energy: -87.664
Base-Backbone interact. energy: 1.017
local terms energy: -97.353163
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -13.715
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: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -286.769144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.769144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.769144 (E_RNA)
where:
Base-Base interactions energy: -184.993
where: short stacking energy: -80.991
Base-Backbone interact. energy: -0.033
local terms energy: -101.742786
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -13.189
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: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -285.670773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.670773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.670773 (E_RNA)
where:
Base-Base interactions energy: -196.720
where: short stacking energy: -89.955
Base-Backbone interact. energy: -0.197
local terms energy: -88.754097
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.370
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -253.821598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.821598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.821598 (E_RNA)
where:
Base-Base interactions energy: -168.634
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.101
local terms energy: -85.086754
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -214.982389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.982389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982389 (E_RNA)
where:
Base-Base interactions energy: -135.835
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.296
local terms energy: -78.851036
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -223.297777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297777 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.691
local terms energy: -84.589611
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -115.738828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.738828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.738828 (E_RNA)
where:
Base-Base interactions energy: -48.666
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.971
local terms energy: -66.101734
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -7.900
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -198.915341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.915341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.915341 (E_RNA)
where:
Base-Base interactions energy: -132.139
where: short stacking energy: -52.366
Base-Backbone interact. energy: -0.358
local terms energy: -66.418083
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -100.255517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.255517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.255517 (E_RNA)
where:
Base-Base interactions energy: -33.170
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.117
local terms energy: -66.969210
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -102.907903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.907903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.907903 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -33.979
Base-Backbone interact. energy: -0.149
local terms energy: -64.194198
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -4.365
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: 142
Temperature: 0.900000
Total energy: -301.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.596322 (E_RNA)
where:
Base-Base interactions energy: -214.735
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.002
local terms energy: -86.858583
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -284.585426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.585426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.585426 (E_RNA)
where:
Base-Base interactions energy: -192.111
where: short stacking energy: -84.181
Base-Backbone interact. energy: -0.104
local terms energy: -92.370638
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -291.573278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.573278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.573278 (E_RNA)
where:
Base-Base interactions energy: -191.296
where: short stacking energy: -84.660
Base-Backbone interact. energy: -0.169
local terms energy: -100.108471
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -28.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -278.649236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.649236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.649236 (E_RNA)
where:
Base-Base interactions energy: -190.021
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.142
local terms energy: -88.486219
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -216.302274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.302274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.302274 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.143
local terms energy: -74.947123
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -201.638431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.638431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.638431 (E_RNA)
where:
Base-Base interactions energy: -118.719
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.547
local terms energy: -82.371995
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -182.117685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.117685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.117685 (E_RNA)
where:
Base-Base interactions energy: -117.171
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.072
local terms energy: -64.874932
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -7.633
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: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -112.014473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.014473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.014473 (E_RNA)
where:
Base-Base interactions energy: -54.176
where: short stacking energy: -29.619
Base-Backbone interact. energy: 0.315
local terms energy: -58.152985
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -4.896
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: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -105.782447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.782447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.782447 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -35.902
Base-Backbone interact. energy: -1.068
local terms energy: -65.553912
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -98.023926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.023926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.023926 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.068
local terms energy: -60.077255
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -297.741833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.741833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.741833 (E_RNA)
where:
Base-Base interactions energy: -195.551
where: short stacking energy: -83.214
Base-Backbone interact. energy: -0.201
local terms energy: -101.989503
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -15.223
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: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -289.230004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.230004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.230004 (E_RNA)
where:
Base-Base interactions energy: -194.880
where: short stacking energy: -81.559
Base-Backbone interact. energy: -0.515
local terms energy: -93.835089
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -23.072
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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -290.993531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.993531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.993531 (E_RNA)
where:
Base-Base interactions energy: -200.366
where: short stacking energy: -86.467
Base-Backbone interact. energy: -0.037
local terms energy: -90.591389
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -25.691
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: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -271.745047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.745047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.745047 (E_RNA)
where:
Base-Base interactions energy: -181.313
where: short stacking energy: -82.033
Base-Backbone interact. energy: -0.694
local terms energy: -89.738686
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -26.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -219.916884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.916884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.916884 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -64.669
Base-Backbone interact. energy: 0.181
local terms energy: -78.220175
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -183.844842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.844842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.844842 (E_RNA)
where:
Base-Base interactions energy: -112.235
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.354
local terms energy: -71.256621
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -170.930298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.930298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.930298 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -52.339
Base-Backbone interact. energy: -0.212
local terms energy: -60.383294
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -97.582537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.582537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.582537 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.439
local terms energy: -59.210291
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: 2.215
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: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -94.845520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.845520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.845520 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.193
local terms energy: -64.654796
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -94.646853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.646853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.646853 (E_RNA)
where:
Base-Base interactions energy: -30.342
where: short stacking energy: -29.118
Base-Backbone interact. energy: 0.449
local terms energy: -64.753326
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -296.343888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.343888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.343888 (E_RNA)
where:
Base-Base interactions energy: -192.756
where: short stacking energy: -85.661
Base-Backbone interact. energy: -0.094
local terms energy: -103.493724
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -18.424
tors. eta vs tors. theta energy: -27.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -287.105396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.105396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.105396 (E_RNA)
where:
Base-Base interactions energy: -191.462
where: short stacking energy: -82.096
Base-Backbone interact. energy: -0.118
local terms energy: -95.525838
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -281.426811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.426811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.426811 (E_RNA)
where:
Base-Base interactions energy: -196.945
where: short stacking energy: -80.614
Base-Backbone interact. energy: -0.376
local terms energy: -84.105026
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -23.904
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -293.540389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.540389 (E_RNA)
where:
Base-Base interactions energy: -192.448
where: short stacking energy: -89.560
Base-Backbone interact. energy: -0.066
local terms energy: -101.025984
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -26.284
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -239.764994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.764994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.764994 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -69.618
Base-Backbone interact. energy: 0.127
local terms energy: -86.210964
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -173.830920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.830920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.830920 (E_RNA)
where:
Base-Base interactions energy: -102.506
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.113
local terms energy: -71.212079
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -181.056363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.056363 (E_RNA)
where:
Base-Base interactions energy: -110.276
where: short stacking energy: -68.990
Base-Backbone interact. energy: 0.598
local terms energy: -71.377948
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -94.496512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.496512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.496512 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -22.260
Base-Backbone interact. energy: -0.251
local terms energy: -61.029527
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -107.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.087148 (E_RNA)
where:
Base-Base interactions energy: -48.411
where: short stacking energy: -26.038
Base-Backbone interact. energy: 0.185
local terms energy: -58.860904
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -0.798
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: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -94.740566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740566 (E_RNA)
where:
Base-Base interactions energy: -32.971
where: short stacking energy: -10.745
Base-Backbone interact. energy: 0.065
local terms energy: -61.833850
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -15.446
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: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -291.043670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.043670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.043670 (E_RNA)
where:
Base-Base interactions energy: -194.560
where: short stacking energy: -86.366
Base-Backbone interact. energy: -0.796
local terms energy: -95.687605
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -285.581687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.581687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.581687 (E_RNA)
where:
Base-Base interactions energy: -194.394
where: short stacking energy: -83.540
Base-Backbone interact. energy: 0.117
local terms energy: -91.304491
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -286.457981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.457981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.457981 (E_RNA)
where:
Base-Base interactions energy: -192.757
where: short stacking energy: -84.028
Base-Backbone interact. energy: 0.070
local terms energy: -93.771554
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -277.934312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.934312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.934312 (E_RNA)
where:
Base-Base interactions energy: -188.276
where: short stacking energy: -87.751
Base-Backbone interact. energy: -0.119
local terms energy: -89.539306
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -238.518567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.518567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.518567 (E_RNA)
where:
Base-Base interactions energy: -146.421
where: short stacking energy: -74.663
Base-Backbone interact. energy: -0.046
local terms energy: -92.051766
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -22.802
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: 145
Temperature: 1.150000
Total energy: -262.392892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.392892 (E_RNA)
where:
Base-Base interactions energy: -170.984
where: short stacking energy: -74.128
Base-Backbone interact. energy: -0.045
local terms energy: -91.364687
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -164.683288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.683288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.683288 (E_RNA)
where:
Base-Base interactions energy: -92.094
where: short stacking energy: -42.198
Base-Backbone interact. energy: -0.867
local terms energy: -71.722049
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -144.602455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.602455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.602455 (E_RNA)
where:
Base-Base interactions energy: -76.361
where: short stacking energy: -42.857
Base-Backbone interact. energy: -0.080
local terms energy: -68.161137
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -12.574
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: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -94.518896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.518896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.518896 (E_RNA)
where:
Base-Base interactions energy: -29.956
where: short stacking energy: -26.182
Base-Backbone interact. energy: -0.115
local terms energy: -64.447691
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -91.335614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.335614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.335614 (E_RNA)
where:
Base-Base interactions energy: -29.507
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.266
local terms energy: -61.562418
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -293.401604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.401604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.401604 (E_RNA)
where:
Base-Base interactions energy: -197.128
where: short stacking energy: -82.902
Base-Backbone interact. energy: -0.268
local terms energy: -96.005979
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -11.259
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: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -293.555665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.555665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.555665 (E_RNA)
where:
Base-Base interactions energy: -203.972
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.010
local terms energy: -89.572854
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -286.298179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.298179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.298179 (E_RNA)
where:
Base-Base interactions energy: -189.201
where: short stacking energy: -89.785
Base-Backbone interact. energy: -0.007
local terms energy: -97.090352
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -14.864
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: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -268.681624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.681624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.681624 (E_RNA)
where:
Base-Base interactions energy: -182.751
where: short stacking energy: -71.276
Base-Backbone interact. energy: 0.200
local terms energy: -86.130663
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -10.095
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -235.821123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.821123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.821123 (E_RNA)
where:
Base-Base interactions energy: -153.132
where: short stacking energy: -77.243
Base-Backbone interact. energy: -0.009
local terms energy: -82.680072
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -246.893150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.893150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.893150 (E_RNA)
where:
Base-Base interactions energy: -166.016
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.222
local terms energy: -80.655217
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -162.162757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.162757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.162757 (E_RNA)
where:
Base-Base interactions energy: -94.769
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.216
local terms energy: -67.177937
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -170.720981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.720981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.720981 (E_RNA)
where:
Base-Base interactions energy: -102.733
where: short stacking energy: -42.790
Base-Backbone interact. energy: 0.079
local terms energy: -68.066233
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -92.453944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453944 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.102
local terms energy: -54.365146
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -97.151835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.151835 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -35.320
Base-Backbone interact. energy: 1.573
local terms energy: -62.803058
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -292.166558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.166558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.166558 (E_RNA)
where:
Base-Base interactions energy: -197.954
where: short stacking energy: -82.886
Base-Backbone interact. energy: -0.087
local terms energy: -94.126004
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -304.645225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.645225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.645225 (E_RNA)
where:
Base-Base interactions energy: -202.747
where: short stacking energy: -89.641
Base-Backbone interact. energy: -0.002
local terms energy: -101.897033
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -279.944844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.944844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.944844 (E_RNA)
where:
Base-Base interactions energy: -189.784
where: short stacking energy: -85.331
Base-Backbone interact. energy: -0.539
local terms energy: -89.621345
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -266.187115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.187115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.187115 (E_RNA)
where:
Base-Base interactions energy: -177.941
where: short stacking energy: -75.649
Base-Backbone interact. energy: -0.395
local terms energy: -87.850998
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -226.073112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.073112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073112 (E_RNA)
where:
Base-Base interactions energy: -167.880
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.265
local terms energy: -57.928178
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -8.603
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: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -237.049894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.049894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.049894 (E_RNA)
where:
Base-Base interactions energy: -153.935
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.287
local terms energy: -82.828641
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.115
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -156.948935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.948935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.948935 (E_RNA)
where:
Base-Base interactions energy: -94.725
where: short stacking energy: -49.600
Base-Backbone interact. energy: -1.823
local terms energy: -60.400849
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -160.569052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.569052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.569052 (E_RNA)
where:
Base-Base interactions energy: -97.526
where: short stacking energy: -55.879
Base-Backbone interact. energy: -0.396
local terms energy: -62.646615
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -11.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -96.733131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.733131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.733131 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -24.000
Base-Backbone interact. energy: -0.316
local terms energy: -56.724791
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -84.432349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432349 (E_RNA)
where:
Base-Base interactions energy: -25.662
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.118
local terms energy: -58.652337
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -295.101244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.101244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.101244 (E_RNA)
where:
Base-Base interactions energy: -201.896
where: short stacking energy: -87.185
Base-Backbone interact. energy: 0.039
local terms energy: -93.243658
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -10.402
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: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -307.194756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.194756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.194756 (E_RNA)
where:
Base-Base interactions energy: -213.883
where: short stacking energy: -90.713
Base-Backbone interact. energy: -0.001
local terms energy: -93.310123
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -276.532859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.532859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.532859 (E_RNA)
where:
Base-Base interactions energy: -179.871
where: short stacking energy: -84.879
Base-Backbone interact. energy: -0.023
local terms energy: -96.638620
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -264.355590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.355590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.355590 (E_RNA)
where:
Base-Base interactions energy: -176.911
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.630
local terms energy: -86.814907
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -239.054050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.054050 (E_RNA)
where:
Base-Base interactions energy: -146.998
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.934
local terms energy: -91.122831
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -216.852958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.852958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.852958 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.058
local terms energy: -76.155966
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -150.711897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.711897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.711897 (E_RNA)
where:
Base-Base interactions energy: -89.783
where: short stacking energy: -48.508
Base-Backbone interact. energy: -0.302
local terms energy: -60.626709
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -4.257
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: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -171.156246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.156246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.156246 (E_RNA)
where:
Base-Base interactions energy: -92.549
where: short stacking energy: -42.729
Base-Backbone interact. energy: -0.195
local terms energy: -78.411885
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -109.480007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.480007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.480007 (E_RNA)
where:
Base-Base interactions energy: -58.460
where: short stacking energy: -35.378
Base-Backbone interact. energy: 0.254
local terms energy: -51.274087
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: 5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -160.150971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.150971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.150971 (E_RNA)
where:
Base-Base interactions energy: -92.416
where: short stacking energy: -48.045
Base-Backbone interact. energy: -0.307
local terms energy: -67.428242
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -297.707386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.707386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.707386 (E_RNA)
where:
Base-Base interactions energy: -201.742
where: short stacking energy: -88.361
Base-Backbone interact. energy: 0.838
local terms energy: -96.803289
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -26.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -289.787718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.787718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.787718 (E_RNA)
where:
Base-Base interactions energy: -198.126
where: short stacking energy: -83.521
Base-Backbone interact. energy: -0.009
local terms energy: -91.653082
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -9.047
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: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -291.550686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.550686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.550686 (E_RNA)
where:
Base-Base interactions energy: -196.370
where: short stacking energy: -87.795
Base-Backbone interact. energy: -0.145
local terms energy: -95.035352
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -14.642
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: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -269.063508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.063508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.063508 (E_RNA)
where:
Base-Base interactions energy: -181.504
where: short stacking energy: -70.808
Base-Backbone interact. energy: -0.441
local terms energy: -87.118026
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -19.048
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: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -257.706828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.706828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.706828 (E_RNA)
where:
Base-Base interactions energy: -163.198
where: short stacking energy: -69.160
Base-Backbone interact. energy: 0.014
local terms energy: -94.522901
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -15.012
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: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -231.031468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.031468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.031468 (E_RNA)
where:
Base-Base interactions energy: -143.989
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.209
local terms energy: -86.833627
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -166.311111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.311111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.311111 (E_RNA)
where:
Base-Base interactions energy: -102.646
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.133
local terms energy: -63.531537
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -161.472681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.472681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.472681 (E_RNA)
where:
Base-Base interactions energy: -91.924
where: short stacking energy: -45.829
Base-Backbone interact. energy: -0.194
local terms energy: -69.354904
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -103.354692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354692 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -35.987
Base-Backbone interact. energy: 0.086
local terms energy: -67.044178
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -161.510190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.510190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.510190 (E_RNA)
where:
Base-Base interactions energy: -101.670
where: short stacking energy: -37.548
Base-Backbone interact. energy: 1.428
local terms energy: -61.268342
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -294.611934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.611934 (E_RNA)
where:
Base-Base interactions energy: -197.620
where: short stacking energy: -82.705
Base-Backbone interact. energy: -0.106
local terms energy: -96.886479
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -24.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -288.314556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.314556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.314556 (E_RNA)
where:
Base-Base interactions energy: -192.830
where: short stacking energy: -96.117
Base-Backbone interact. energy: -0.039
local terms energy: -95.445698
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -28.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -273.041737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.041737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.041737 (E_RNA)
where:
Base-Base interactions energy: -185.577
where: short stacking energy: -77.575
Base-Backbone interact. energy: -0.111
local terms energy: -87.353708
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -279.747438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.747438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.747438 (E_RNA)
where:
Base-Base interactions energy: -186.261
where: short stacking energy: -88.855
Base-Backbone interact. energy: -0.050
local terms energy: -93.436489
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -264.451789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.451789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.451789 (E_RNA)
where:
Base-Base interactions energy: -164.629
where: short stacking energy: -79.897
Base-Backbone interact. energy: -0.018
local terms energy: -99.804430
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -27.821
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: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -248.128203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.128203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.128203 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.119
local terms energy: -91.748517
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -176.230172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.230172 (E_RNA)
where:
Base-Base interactions energy: -124.960
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.428
local terms energy: -50.841933
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -143.298951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.298951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.298951 (E_RNA)
where:
Base-Base interactions energy: -74.727
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.116
local terms energy: -68.456233
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -177.496166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.496166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.496166 (E_RNA)
where:
Base-Base interactions energy: -104.674
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.199
local terms energy: -72.623412
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.536
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: 150
Temperature: 1.350000
Total energy: -103.885510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.885510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.885510 (E_RNA)
where:
Base-Base interactions energy: -47.389
where: short stacking energy: -29.387
Base-Backbone interact. energy: 2.377
local terms energy: -58.873906
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: 4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -299.309612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.309612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.309612 (E_RNA)
where:
Base-Base interactions energy: -192.136
where: short stacking energy: -87.502
Base-Backbone interact. energy: -0.260
local terms energy: -106.913885
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -28.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -287.091856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091856 (E_RNA)
where:
Base-Base interactions energy: -188.620
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.003
local terms energy: -98.468288
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -14.130
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -291.180118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.180118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.180118 (E_RNA)
where:
Base-Base interactions energy: -208.514
where: short stacking energy: -81.909
Base-Backbone interact. energy: -0.160
local terms energy: -82.506259
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -272.498698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.498698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.498698 (E_RNA)
where:
Base-Base interactions energy: -172.566
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.763
local terms energy: -99.169515
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -221.298775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298775 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.745
local terms energy: -82.111066
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -192.175200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.175200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.175200 (E_RNA)
where:
Base-Base interactions energy: -109.974
where: short stacking energy: -49.493
Base-Backbone interact. energy: -0.631
local terms energy: -81.569567
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -14.308
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: 151
Temperature: 1.200000
Total energy: -236.938854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.938854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.938854 (E_RNA)
where:
Base-Base interactions energy: -155.536
where: short stacking energy: -76.423
Base-Backbone interact. energy: 2.160
local terms energy: -83.563352
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -21.472
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: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -196.172025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.172025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.172025 (E_RNA)
where:
Base-Base interactions energy: -126.297
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.805
local terms energy: -69.069748
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -113.309705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.309705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.309705 (E_RNA)
where:
Base-Base interactions energy: -61.732
where: short stacking energy: -42.632
Base-Backbone interact. energy: -0.260
local terms energy: -51.318155
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -95.708035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.708035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.708035 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.580
local terms energy: -56.836207
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -294.798721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.798721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.798721 (E_RNA)
where:
Base-Base interactions energy: -196.042
where: short stacking energy: -85.542
Base-Backbone interact. energy: -1.194
local terms energy: -97.562212
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -16.320
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: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -295.249847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.249847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.249847 (E_RNA)
where:
Base-Base interactions energy: -203.045
where: short stacking energy: -93.155
Base-Backbone interact. energy: -0.010
local terms energy: -92.194566
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -282.411581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.411581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.411581 (E_RNA)
where:
Base-Base interactions energy: -181.058
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.145
local terms energy: -101.208332
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -28.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -289.124775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.124775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.124775 (E_RNA)
where:
Base-Base interactions energy: -207.439
where: short stacking energy: -70.617
Base-Backbone interact. energy: 1.002
local terms energy: -82.686964
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -211.494736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.494736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.494736 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -57.573
Base-Backbone interact. energy: 0.582
local terms energy: -80.000130
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -16.438
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: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -210.277346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.277346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.277346 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.271
local terms energy: -82.595592
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -14.238
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -211.135778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.135778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.135778 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -66.097
Base-Backbone interact. energy: -0.310
local terms energy: -72.216231
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -209.847168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.847168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.847168 (E_RNA)
where:
Base-Base interactions energy: -132.672
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.411
local terms energy: -76.764378
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -110.595859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.595859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.595859 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.156
local terms energy: -60.664875
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -98.657058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657058 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -27.039
Base-Backbone interact. energy: -0.789
local terms energy: -61.761391
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -296.710785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.710785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.710785 (E_RNA)
where:
Base-Base interactions energy: -202.758
where: short stacking energy: -87.240
Base-Backbone interact. energy: -0.317
local terms energy: -93.636554
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -24.764
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: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -283.745665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.745665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.745665 (E_RNA)
where:
Base-Base interactions energy: -184.316
where: short stacking energy: -84.484
Base-Backbone interact. energy: -0.080
local terms energy: -99.349032
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -24.017
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -281.219625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.219625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.219625 (E_RNA)
where:
Base-Base interactions energy: -189.677
where: short stacking energy: -89.839
Base-Backbone interact. energy: -1.426
local terms energy: -90.116347
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -28.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -289.814136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.814136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.814136 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -80.250
Base-Backbone interact. energy: 0.050
local terms energy: -82.476584
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -220.525273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.525273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.525273 (E_RNA)
where:
Base-Base interactions energy: -140.617
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.105
local terms energy: -79.802925
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -19.855
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -210.417035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.417035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.417035 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.071
local terms energy: -68.329636
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -211.498247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.498247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.498247 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.417
local terms energy: -84.175283
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -14.926
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -191.552280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.552280 (E_RNA)
where:
Base-Base interactions energy: -120.780
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.285
local terms energy: -70.487091
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -9.227
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: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -90.222683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.222683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.222683 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -30.322
Base-Backbone interact. energy: 1.315
local terms energy: -61.216229
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -119.811202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.811202 (E_RNA)
where:
Base-Base interactions energy: -53.311
where: short stacking energy: -39.459
Base-Backbone interact. energy: -0.353
local terms energy: -66.147351
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -295.380348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.380348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.380348 (E_RNA)
where:
Base-Base interactions energy: -200.239
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.327
local terms energy: -94.814586
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -278.288545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.288545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.288545 (E_RNA)
where:
Base-Base interactions energy: -183.758
where: short stacking energy: -87.302
Base-Backbone interact. energy: -1.173
local terms energy: -93.357254
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -25.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -296.845298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.845298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.845298 (E_RNA)
where:
Base-Base interactions energy: -205.948
where: short stacking energy: -79.225
Base-Backbone interact. energy: -0.209
local terms energy: -90.687993
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -23.943
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: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -281.057017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.057017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.057017 (E_RNA)
where:
Base-Base interactions energy: -189.120
where: short stacking energy: -86.747
Base-Backbone interact. energy: -0.524
local terms energy: -91.412607
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -221.527494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.527494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.527494 (E_RNA)
where:
Base-Base interactions energy: -147.780
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.223
local terms energy: -73.524649
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -210.053143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.053143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.053143 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.089
local terms energy: -77.993387
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -192.626095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.626095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.626095 (E_RNA)
where:
Base-Base interactions energy: -122.294
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.231
local terms energy: -70.100301
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -194.332043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.332043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.332043 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.480
local terms energy: -68.098243
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -111.216760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.216760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.216760 (E_RNA)
where:
Base-Base interactions energy: -59.764
where: short stacking energy: -30.617
Base-Backbone interact. energy: 0.182
local terms energy: -51.635003
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -88.925258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.925258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.925258 (E_RNA)
where:
Base-Base interactions energy: -39.230
where: short stacking energy: -10.807
Base-Backbone interact. energy: 0.692
local terms energy: -50.387370
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: 4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -291.967557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.967557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.967557 (E_RNA)
where:
Base-Base interactions energy: -190.686
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.257
local terms energy: -101.024515
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -305.430238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.430238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.430238 (E_RNA)
where:
Base-Base interactions energy: -218.843
where: short stacking energy: -82.545
Base-Backbone interact. energy: -0.129
local terms energy: -86.458866
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -23.553
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -267.602180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.602180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.602180 (E_RNA)
where:
Base-Base interactions energy: -183.628
where: short stacking energy: -71.477
Base-Backbone interact. energy: -1.524
local terms energy: -82.449533
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -272.356952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.356952 (E_RNA)
where:
Base-Base interactions energy: -179.311
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.098
local terms energy: -92.948116
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -8.119
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: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -211.482123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.482123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.482123 (E_RNA)
where:
Base-Base interactions energy: -137.622
where: short stacking energy: -59.562
Base-Backbone interact. energy: 0.452
local terms energy: -74.312216
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -218.388619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.388619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.388619 (E_RNA)
where:
Base-Base interactions energy: -145.219
where: short stacking energy: -60.587
Base-Backbone interact. energy: -0.125
local terms energy: -73.045556
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -212.415461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.415461 (E_RNA)
where:
Base-Base interactions energy: -131.034
where: short stacking energy: -56.146
Base-Backbone interact. energy: -0.131
local terms energy: -81.250464
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -209.058735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058735 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -63.338
Base-Backbone interact. energy: 4.317
local terms energy: -66.912689
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -102.389545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.389545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.389545 (E_RNA)
where:
Base-Base interactions energy: -50.765
where: short stacking energy: -30.664
Base-Backbone interact. energy: 0.531
local terms energy: -52.155758
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -92.093409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.093409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.093409 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -31.413
Base-Backbone interact. energy: -0.244
local terms energy: -60.435947
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -311.723183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.723183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.723183 (E_RNA)
where:
Base-Base interactions energy: -213.057
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.005
local terms energy: -98.660538
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -291.090431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.090431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.090431 (E_RNA)
where:
Base-Base interactions energy: -197.465
where: short stacking energy: -79.338
Base-Backbone interact. energy: -0.200
local terms energy: -93.425958
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -24.332
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: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -291.996236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.996236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.996236 (E_RNA)
where:
Base-Base interactions energy: -192.011
where: short stacking energy: -88.935
Base-Backbone interact. energy: -0.399
local terms energy: -99.585595
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -247.838808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.838808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.838808 (E_RNA)
where:
Base-Base interactions energy: -165.770
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.005
local terms energy: -82.063098
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -223.711144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.711144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.711144 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.008
local terms energy: -80.130585
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -203.167858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.167858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.167858 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -52.655
Base-Backbone interact. energy: -1.232
local terms energy: -77.453598
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -10.619
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: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -214.765366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.765366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.765366 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.298
local terms energy: -76.595080
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -195.813459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.813459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.813459 (E_RNA)
where:
Base-Base interactions energy: -125.923
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.006
local terms energy: -69.884700
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -100.226919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.226919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.226919 (E_RNA)
where:
Base-Base interactions energy: -47.983
where: short stacking energy: -25.140
Base-Backbone interact. energy: 1.006
local terms energy: -53.249782
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -88.352426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.352426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.352426 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.056
local terms energy: -62.531435
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -302.020150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.020150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.020150 (E_RNA)
where:
Base-Base interactions energy: -216.369
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.335
local terms energy: -85.315486
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -23.342
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -297.648947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.648947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.648947 (E_RNA)
where:
Base-Base interactions energy: -197.582
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.821
local terms energy: -99.245582
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -29.657
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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -287.070647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.070647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.070647 (E_RNA)
where:
Base-Base interactions energy: -194.549
where: short stacking energy: -79.917
Base-Backbone interact. energy: -0.624
local terms energy: -91.897911
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -253.089024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.089024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.089024 (E_RNA)
where:
Base-Base interactions energy: -172.939
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.288
local terms energy: -79.862080
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -7.373
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: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -209.149585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149585 (E_RNA)
where:
Base-Base interactions energy: -133.056
where: short stacking energy: -56.193
Base-Backbone interact. energy: 0.291
local terms energy: -76.385150
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -224.233477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233477 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.007
local terms energy: -85.886679
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -204.997453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997453 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.246
local terms energy: -66.649174
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -179.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.180271 (E_RNA)
where:
Base-Base interactions energy: -108.434
where: short stacking energy: -52.279
Base-Backbone interact. energy: 0.727
local terms energy: -71.474093
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -113.227524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.227524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.227524 (E_RNA)
where:
Base-Base interactions energy: -66.499
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.275
local terms energy: -46.453286
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -103.617334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.617334 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.335
local terms energy: -66.043969
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -306.439289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.439289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.439289 (E_RNA)
where:
Base-Base interactions energy: -219.419
where: short stacking energy: -87.058
Base-Backbone interact. energy: -0.116
local terms energy: -86.904189
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -21.448
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -285.779426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.779426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.779426 (E_RNA)
where:
Base-Base interactions energy: -189.122
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.288
local terms energy: -96.369556
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -26.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -287.473837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.473837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.473837 (E_RNA)
where:
Base-Base interactions energy: -195.301
where: short stacking energy: -83.859
Base-Backbone interact. energy: -0.260
local terms energy: -91.913059
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -223.918805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.918805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.918805 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.240
local terms energy: -87.499490
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -16.649
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -251.257376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.257376 (E_RNA)
where:
Base-Base interactions energy: -164.374
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.907
local terms energy: -85.977027
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -209.441014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.441014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.441014 (E_RNA)
where:
Base-Base interactions energy: -135.061
where: short stacking energy: -63.797
Base-Backbone interact. energy: -0.423
local terms energy: -73.956708
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -175.491892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.491892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.491892 (E_RNA)
where:
Base-Base interactions energy: -99.731
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.368
local terms energy: -75.392389
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -8.236
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -198.341242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.341242 (E_RNA)
where:
Base-Base interactions energy: -122.673
where: short stacking energy: -60.145
Base-Backbone interact. energy: 0.113
local terms energy: -75.781812
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -107.108153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.108153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.108153 (E_RNA)
where:
Base-Base interactions energy: -39.425
where: short stacking energy: -33.660
Base-Backbone interact. energy: -1.055
local terms energy: -66.627885
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -89.041130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.041130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.041130 (E_RNA)
where:
Base-Base interactions energy: -39.769
where: short stacking energy: -22.705
Base-Backbone interact. energy: -0.327
local terms energy: -48.945782
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -309.532479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.532479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.532479 (E_RNA)
where:
Base-Base interactions energy: -226.401
where: short stacking energy: -86.425
Base-Backbone interact. energy: -0.063
local terms energy: -83.068435
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -294.058909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.058909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.058909 (E_RNA)
where:
Base-Base interactions energy: -199.843
where: short stacking energy: -91.253
Base-Backbone interact. energy: -0.056
local terms energy: -94.160071
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -297.074642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.074642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.074642 (E_RNA)
where:
Base-Base interactions energy: -194.454
where: short stacking energy: -89.493
Base-Backbone interact. energy: -0.101
local terms energy: -102.519632
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -254.047683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.047683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.047683 (E_RNA)
where:
Base-Base interactions energy: -177.482
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.728
local terms energy: -75.837634
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -224.860327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860327 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.009
local terms energy: -72.794104
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -188.634699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634699 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -52.918
Base-Backbone interact. energy: -0.216
local terms energy: -75.801467
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -223.164017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.164017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.164017 (E_RNA)
where:
Base-Base interactions energy: -150.674
where: short stacking energy: -64.190
Base-Backbone interact. energy: 0.874
local terms energy: -73.363938
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -109.599756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.599756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.599756 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -19.374
Base-Backbone interact. energy: -0.207
local terms energy: -69.108730
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: 2.228
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -174.323433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.323433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.323433 (E_RNA)
where:
Base-Base interactions energy: -106.028
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.051
local terms energy: -68.243932
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -103.680266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.680266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.680266 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.058
local terms energy: -66.685666
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -307.983014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.983014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.983014 (E_RNA)
where:
Base-Base interactions energy: -215.077
where: short stacking energy: -78.233
Base-Backbone interact. energy: -0.282
local terms energy: -92.624831
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -291.745332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.745332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.745332 (E_RNA)
where:
Base-Base interactions energy: -193.929
where: short stacking energy: -88.014
Base-Backbone interact. energy: -0.003
local terms energy: -97.813526
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -291.613138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.613138 (E_RNA)
where:
Base-Base interactions energy: -201.711
where: short stacking energy: -83.716
Base-Backbone interact. energy: -0.044
local terms energy: -89.857802
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -252.283053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.283053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.283053 (E_RNA)
where:
Base-Base interactions energy: -169.260
where: short stacking energy: -72.281
Base-Backbone interact. energy: 0.520
local terms energy: -83.542610
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -19.820
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: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -213.674433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674433 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.238
local terms energy: -78.200470
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -186.164793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.164793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.164793 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.274
local terms energy: -74.444086
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -219.911587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.911587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.911587 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.206
local terms energy: -72.380524
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -18.854
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: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -99.267546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.267546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.267546 (E_RNA)
where:
Base-Base interactions energy: -40.926
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.138
local terms energy: -58.203255
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -168.318663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.318663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.318663 (E_RNA)
where:
Base-Base interactions energy: -98.775
where: short stacking energy: -49.853
Base-Backbone interact. energy: 0.010
local terms energy: -69.553592
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -97.101097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.101097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.101097 (E_RNA)
where:
Base-Base interactions energy: -41.048
where: short stacking energy: -27.754
Base-Backbone interact. energy: 1.238
local terms energy: -57.291101
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -307.285048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.285048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.285048 (E_RNA)
where:
Base-Base interactions energy: -214.098
where: short stacking energy: -81.326
Base-Backbone interact. energy: -0.225
local terms energy: -92.961738
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -298.384181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.384181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.384181 (E_RNA)
where:
Base-Base interactions energy: -201.111
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.006
local terms energy: -97.267481
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -274.787076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.787076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.787076 (E_RNA)
where:
Base-Base interactions energy: -184.390
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.402
local terms energy: -89.995393
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -265.783636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.783636 (E_RNA)
where:
Base-Base interactions energy: -182.859
where: short stacking energy: -85.202
Base-Backbone interact. energy: -0.075
local terms energy: -82.849347
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -239.697220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.697220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.697220 (E_RNA)
where:
Base-Base interactions energy: -155.564
where: short stacking energy: -73.102
Base-Backbone interact. energy: 0.573
local terms energy: -84.705671
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -215.088676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.088676 (E_RNA)
where:
Base-Base interactions energy: -135.231
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.128
local terms energy: -79.728716
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -198.527487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.527487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.527487 (E_RNA)
where:
Base-Base interactions energy: -147.636
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.231
local terms energy: -50.660981
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -181.568652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.568652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.568652 (E_RNA)
where:
Base-Base interactions energy: -114.558
where: short stacking energy: -41.688
Base-Backbone interact. energy: -0.259
local terms energy: -66.752176
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -108.052891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.052891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.052891 (E_RNA)
where:
Base-Base interactions energy: -52.184
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.089
local terms energy: -55.779872
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -128.419393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.419393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.419393 (E_RNA)
where:
Base-Base interactions energy: -67.129
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.039
local terms energy: -61.252045
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -307.936060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.936060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.936060 (E_RNA)
where:
Base-Base interactions energy: -216.766
where: short stacking energy: -80.219
Base-Backbone interact. energy: -0.221
local terms energy: -90.948863
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -316.668720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.668720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.668720 (E_RNA)
where:
Base-Base interactions energy: -214.669
where: short stacking energy: -83.730
Base-Backbone interact. energy: -0.007
local terms energy: -101.992131
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -278.337767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.337767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.337767 (E_RNA)
where:
Base-Base interactions energy: -186.395
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.048
local terms energy: -91.894618
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -23.313
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: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -285.273874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.273874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.273874 (E_RNA)
where:
Base-Base interactions energy: -183.278
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.695
local terms energy: -101.300642
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -29.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -236.638571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.638571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.638571 (E_RNA)
where:
Base-Base interactions energy: -145.047
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.731
local terms energy: -90.860613
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -216.886791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886791 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.244
local terms energy: -76.851990
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -220.882547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.882547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.882547 (E_RNA)
where:
Base-Base interactions energy: -145.742
where: short stacking energy: -57.407
Base-Backbone interact. energy: -0.127
local terms energy: -75.014163
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -201.894186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.894186 (E_RNA)
where:
Base-Base interactions energy: -132.788
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.984
local terms energy: -68.122273
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -161.963693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.963693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.963693 (E_RNA)
where:
Base-Base interactions energy: -84.042
where: short stacking energy: -43.297
Base-Backbone interact. energy: 0.269
local terms energy: -78.190801
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -92.422745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.422745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.422745 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -19.818
Base-Backbone interact. energy: -0.454
local terms energy: -55.474437
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -304.789093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.789093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.789093 (E_RNA)
where:
Base-Base interactions energy: -216.227
where: short stacking energy: -82.741
Base-Backbone interact. energy: -0.179
local terms energy: -88.383188
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -298.933968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.933968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.933968 (E_RNA)
where:
Base-Base interactions energy: -207.309
where: short stacking energy: -83.146
Base-Backbone interact. energy: 0.341
local terms energy: -91.965880
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -25.502
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -282.502139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.502139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.502139 (E_RNA)
where:
Base-Base interactions energy: -188.948
where: short stacking energy: -81.807
Base-Backbone interact. energy: 0.351
local terms energy: -93.905701
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -256.682201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.682201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.682201 (E_RNA)
where:
Base-Base interactions energy: -164.972
where: short stacking energy: -80.131
Base-Backbone interact. energy: -0.102
local terms energy: -91.608542
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -205.107309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.107309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.107309 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -57.578
Base-Backbone interact. energy: 0.084
local terms energy: -81.739871
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -233.412846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.412846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.412846 (E_RNA)
where:
Base-Base interactions energy: -147.184
where: short stacking energy: -62.822
Base-Backbone interact. energy: -0.335
local terms energy: -85.894064
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -217.823369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.823369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.823369 (E_RNA)
where:
Base-Base interactions energy: -136.426
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.434
local terms energy: -80.963319
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -191.611951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.611951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.611951 (E_RNA)
where:
Base-Base interactions energy: -124.113
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.190
local terms energy: -67.308607
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -173.044750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.044750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.044750 (E_RNA)
where:
Base-Base interactions energy: -97.628
where: short stacking energy: -47.965
Base-Backbone interact. energy: 0.285
local terms energy: -75.701742
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -92.596513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.596513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.596513 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -11.581
Base-Backbone interact. energy: 1.410
local terms energy: -56.206105
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: 9.038
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -309.805358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.805358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.805358 (E_RNA)
where:
Base-Base interactions energy: -215.576
where: short stacking energy: -82.297
Base-Backbone interact. energy: 0.784
local terms energy: -95.013390
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -292.173139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.173139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.173139 (E_RNA)
where:
Base-Base interactions energy: -197.770
where: short stacking energy: -85.302
Base-Backbone interact. energy: 0.704
local terms energy: -95.107711
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -25.760
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: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -252.604192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.604192 (E_RNA)
where:
Base-Base interactions energy: -169.019
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.064
local terms energy: -83.520994
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -279.688303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.688303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.688303 (E_RNA)
where:
Base-Base interactions energy: -183.708
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.546
local terms energy: -95.434493
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -180.554214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554214 (E_RNA)
where:
Base-Base interactions energy: -101.801
where: short stacking energy: -60.912
Base-Backbone interact. energy: 0.286
local terms energy: -79.039518
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -15.605
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: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -228.471120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.471120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.471120 (E_RNA)
where:
Base-Base interactions energy: -139.225
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.613
local terms energy: -88.632643
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -211.497888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.497888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.497888 (E_RNA)
where:
Base-Base interactions energy: -127.927
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.022
local terms energy: -83.548150
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -212.770905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.770905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.770905 (E_RNA)
where:
Base-Base interactions energy: -124.516
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.579
local terms energy: -87.676011
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -105.533166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533166 (E_RNA)
where:
Base-Base interactions energy: -54.162
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.179
local terms energy: -51.191897
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -110.310043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.310043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.310043 (E_RNA)
where:
Base-Base interactions energy: -49.763
where: short stacking energy: -28.818
Base-Backbone interact. energy: 1.596
local terms energy: -62.143467
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -14.687
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: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -300.661711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.661711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.661711 (E_RNA)
where:
Base-Base interactions energy: -209.572
where: short stacking energy: -83.911
Base-Backbone interact. energy: -0.270
local terms energy: -90.820048
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -301.180148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.180148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.180148 (E_RNA)
where:
Base-Base interactions energy: -204.529
where: short stacking energy: -87.765
Base-Backbone interact. energy: -0.006
local terms energy: -96.645038
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -27.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -287.910296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.910296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.910296 (E_RNA)
where:
Base-Base interactions energy: -194.509
where: short stacking energy: -87.440
Base-Backbone interact. energy: -0.024
local terms energy: -93.377859
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -27.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -275.676854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.676854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.676854 (E_RNA)
where:
Base-Base interactions energy: -188.680
where: short stacking energy: -85.680
Base-Backbone interact. energy: -0.201
local terms energy: -86.796123
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -214.031570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.031570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.031570 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -54.586
Base-Backbone interact. energy: 0.896
local terms energy: -82.252118
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -13.733
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -200.972209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.972209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.972209 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -55.829
Base-Backbone interact. energy: -0.263
local terms energy: -61.207407
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -201.634528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.634528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.634528 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.074
local terms energy: -71.785565
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -204.708750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.708750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.708750 (E_RNA)
where:
Base-Base interactions energy: -130.563
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.526
local terms energy: -73.620232
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.223
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: 165
Temperature: 1.300000
Total energy: -103.402858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.402858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.402858 (E_RNA)
where:
Base-Base interactions energy: -51.915
where: short stacking energy: -39.914
Base-Backbone interact. energy: 0.738
local terms energy: -52.226561
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -4.470
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: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -102.792280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.792280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.792280 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.656
local terms energy: -62.015117
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -1.036
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -303.597879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.597879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.597879 (E_RNA)
where:
Base-Base interactions energy: -206.399
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.498
local terms energy: -96.700865
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -23.307
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -297.323714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.323714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.323714 (E_RNA)
where:
Base-Base interactions energy: -189.493
where: short stacking energy: -101.918
Base-Backbone interact. energy: -0.023
local terms energy: -107.807934
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -30.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -267.513256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.513256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.513256 (E_RNA)
where:
Base-Base interactions energy: -171.507
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.242
local terms energy: -95.764220
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -21.190
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: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -277.430524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.430524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.430524 (E_RNA)
where:
Base-Base interactions energy: -185.245
where: short stacking energy: -82.660
Base-Backbone interact. energy: -0.074
local terms energy: -92.111545
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -25.735
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: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -241.703502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.703502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.703502 (E_RNA)
where:
Base-Base interactions energy: -152.733
where: short stacking energy: -61.049
Base-Backbone interact. energy: 0.013
local terms energy: -88.983197
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -211.775305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.775305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.775305 (E_RNA)
where:
Base-Base interactions energy: -129.568
where: short stacking energy: -64.836
Base-Backbone interact. energy: 1.340
local terms energy: -83.548007
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -198.121984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.121984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.121984 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -50.325
Base-Backbone interact. energy: 0.947
local terms energy: -84.316533
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -184.492860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.492860 (E_RNA)
where:
Base-Base interactions energy: -113.303
where: short stacking energy: -45.737
Base-Backbone interact. energy: -0.636
local terms energy: -70.553219
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.348
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: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -110.323535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.323535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.323535 (E_RNA)
where:
Base-Base interactions energy: -40.171
where: short stacking energy: -37.815
Base-Backbone interact. energy: -0.066
local terms energy: -70.085846
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -90.744628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744628 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.457
local terms energy: -49.499988
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -302.849541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.849541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.849541 (E_RNA)
where:
Base-Base interactions energy: -211.190
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.528
local terms energy: -91.132249
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -276.510400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.510400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.510400 (E_RNA)
where:
Base-Base interactions energy: -184.942
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.122
local terms energy: -91.446957
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -7.965
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -278.099906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.099906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.099906 (E_RNA)
where:
Base-Base interactions energy: -183.397
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.019
local terms energy: -94.684582
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -282.655468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.655468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.655468 (E_RNA)
where:
Base-Base interactions energy: -186.832
where: short stacking energy: -83.796
Base-Backbone interact. energy: -0.541
local terms energy: -95.283255
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -227.629445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.629445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.629445 (E_RNA)
where:
Base-Base interactions energy: -151.872
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.364
local terms energy: -75.393353
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -214.582716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.582716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.582716 (E_RNA)
where:
Base-Base interactions energy: -139.073
where: short stacking energy: -60.047
Base-Backbone interact. energy: -1.087
local terms energy: -74.423457
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -181.785563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.785563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.785563 (E_RNA)
where:
Base-Base interactions energy: -112.391
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.594
local terms energy: -68.800256
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -14.270
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: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -120.084549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.084549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.084549 (E_RNA)
where:
Base-Base interactions energy: -54.184
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.115
local terms energy: -65.785602
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -4.754
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -183.970649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.970649 (E_RNA)
where:
Base-Base interactions energy: -107.095
where: short stacking energy: -49.950
Base-Backbone interact. energy: -0.285
local terms energy: -76.590532
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -105.968594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.968594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.968594 (E_RNA)
where:
Base-Base interactions energy: -53.399
where: short stacking energy: -39.337
Base-Backbone interact. energy: 0.446
local terms energy: -53.016449
where:
bonds (distance) C4'-P energy: -7.402
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -4.196
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: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -307.009225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.009225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.009225 (E_RNA)
where:
Base-Base interactions energy: -215.102
where: short stacking energy: -80.583
Base-Backbone interact. energy: -0.207
local terms energy: -91.700972
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -288.475591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.475591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.475591 (E_RNA)
where:
Base-Base interactions energy: -195.548
where: short stacking energy: -88.958
Base-Backbone interact. energy: -1.191
local terms energy: -91.736965
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -23.042
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -266.164580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.164580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.164580 (E_RNA)
where:
Base-Base interactions energy: -173.763
where: short stacking energy: -84.127
Base-Backbone interact. energy: -0.016
local terms energy: -92.386345
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -26.696
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: 168
Temperature: 1.050000
Total energy: -258.198296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.198296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.198296 (E_RNA)
where:
Base-Base interactions energy: -172.167
where: short stacking energy: -78.214
Base-Backbone interact. energy: -1.105
local terms energy: -84.925841
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -23.429
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: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -223.142719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.142719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.142719 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.077
local terms energy: -89.564564
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -19.048
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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -199.703106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.703106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.703106 (E_RNA)
where:
Base-Base interactions energy: -126.965
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.040
local terms energy: -72.698261
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -153.016981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.016981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.016981 (E_RNA)
where:
Base-Base interactions energy: -78.912
where: short stacking energy: -38.247
Base-Backbone interact. energy: -0.102
local terms energy: -74.002579
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -104.640769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.640769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.640769 (E_RNA)
where:
Base-Base interactions energy: -45.461
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.060
local terms energy: -59.119862
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -175.223460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.223460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.223460 (E_RNA)
where:
Base-Base interactions energy: -115.443
where: short stacking energy: -44.351
Base-Backbone interact. energy: 2.273
local terms energy: -62.053811
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -90.024554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024554 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -17.589
Base-Backbone interact. energy: -0.675
local terms energy: -45.956430
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: 3.282
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: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -299.251687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.251687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.251687 (E_RNA)
where:
Base-Base interactions energy: -213.496
where: short stacking energy: -78.958
Base-Backbone interact. energy: 1.171
local terms energy: -86.926581
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -22.099
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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -291.565219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.565219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.565219 (E_RNA)
where:
Base-Base interactions energy: -197.536
where: short stacking energy: -84.517
Base-Backbone interact. energy: -0.080
local terms energy: -93.948887
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -16.138
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: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -271.787138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.787138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.787138 (E_RNA)
where:
Base-Base interactions energy: -173.622
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.117
local terms energy: -98.048983
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -245.845278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.845278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.845278 (E_RNA)
where:
Base-Base interactions energy: -155.028
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.255
local terms energy: -90.562226
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -22.126
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: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -245.418450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.418450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.418450 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.604
local terms energy: -84.066184
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -10.216
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: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -202.352371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.352371 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.114
local terms energy: -76.829555
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -175.350579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.350579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.350579 (E_RNA)
where:
Base-Base interactions energy: -104.964
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.227
local terms energy: -70.159292
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -206.156468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.156468 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.056
local terms energy: -74.262732
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -101.013216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.013216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.013216 (E_RNA)
where:
Base-Base interactions energy: -37.228
where: short stacking energy: -33.967
Base-Backbone interact. energy: -1.150
local terms energy: -62.635340
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -2.327
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -102.314850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314850 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -33.301
Base-Backbone interact. energy: -0.246
local terms energy: -64.266782
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -8.761
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -303.350177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.350177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.350177 (E_RNA)
where:
Base-Base interactions energy: -210.090
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.237
local terms energy: -93.023311
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -24.455
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: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -283.705450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.705450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.705450 (E_RNA)
where:
Base-Base interactions energy: -184.863
where: short stacking energy: -83.572
Base-Backbone interact. energy: -0.941
local terms energy: -97.901631
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -24.945
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -280.500723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.500723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.500723 (E_RNA)
where:
Base-Base interactions energy: -185.699
where: short stacking energy: -89.483
Base-Backbone interact. energy: -0.051
local terms energy: -94.750892
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -12.855
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -243.231859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.231859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.231859 (E_RNA)
where:
Base-Base interactions energy: -149.534
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.021
local terms energy: -93.676979
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -20.679
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: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -242.015195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.015195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.015195 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.074
local terms energy: -84.566585
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -11.003
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: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -196.252193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.252193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252193 (E_RNA)
where:
Base-Base interactions energy: -121.625
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.347
local terms energy: -74.279993
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -217.790779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.790779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.790779 (E_RNA)
where:
Base-Base interactions energy: -128.206
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.326
local terms energy: -89.258594
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -184.108183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108183 (E_RNA)
where:
Base-Base interactions energy: -119.830
where: short stacking energy: -47.065
Base-Backbone interact. energy: -0.635
local terms energy: -63.643239
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -0.588
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -104.680401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.680401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.680401 (E_RNA)
where:
Base-Base interactions energy: -52.852
where: short stacking energy: -24.943
Base-Backbone interact. energy: -1.294
local terms energy: -50.534265
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: 6.643
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: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -91.624318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.624318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.624318 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -31.984
Base-Backbone interact. energy: -0.452
local terms energy: -51.370301
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -297.490276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.490276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.490276 (E_RNA)
where:
Base-Base interactions energy: -210.011
where: short stacking energy: -81.942
Base-Backbone interact. energy: -0.283
local terms energy: -87.196543
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -282.775538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.775538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.775538 (E_RNA)
where:
Base-Base interactions energy: -184.577
where: short stacking energy: -88.098
Base-Backbone interact. energy: -0.237
local terms energy: -97.961618
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -24.719
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: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -274.466515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.466515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.466515 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.101
local terms energy: -86.234442
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -12.644
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -229.476370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476370 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.041
local terms energy: -90.157011
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -18.554
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: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -237.951467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.951467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.951467 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.684
local terms energy: -71.540676
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -213.817893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.817893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.817893 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.170
local terms energy: -79.330345
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -183.785018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.785018 (E_RNA)
where:
Base-Base interactions energy: -106.352
where: short stacking energy: -53.349
Base-Backbone interact. energy: -1.483
local terms energy: -75.950035
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -190.894015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.894015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.894015 (E_RNA)
where:
Base-Base interactions energy: -122.479
where: short stacking energy: -53.245
Base-Backbone interact. energy: -0.129
local terms energy: -68.285560
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -94.869180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.869180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.869180 (E_RNA)
where:
Base-Base interactions energy: -31.627
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.099
local terms energy: -63.143004
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.836
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: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -96.091190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.091190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.091190 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.287
local terms energy: -59.657794
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -5.018
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: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -292.327599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.327599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.327599 (E_RNA)
where:
Base-Base interactions energy: -193.105
where: short stacking energy: -93.018
Base-Backbone interact. energy: -1.500
local terms energy: -97.722711
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -297.166424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.166424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.166424 (E_RNA)
where:
Base-Base interactions energy: -209.260
where: short stacking energy: -76.555
Base-Backbone interact. energy: -0.276
local terms energy: -87.630428
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -280.685732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.685732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.685732 (E_RNA)
where:
Base-Base interactions energy: -189.496
where: short stacking energy: -85.481
Base-Backbone interact. energy: -1.333
local terms energy: -89.856393
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -257.433586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.433586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.433586 (E_RNA)
where:
Base-Base interactions energy: -166.800
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.204
local terms energy: -90.429041
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -230.635301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.635301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.635301 (E_RNA)
where:
Base-Base interactions energy: -152.972
where: short stacking energy: -69.829
Base-Backbone interact. energy: 0.044
local terms energy: -77.706650
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -218.737433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.737433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.737433 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -75.700
Base-Backbone interact. energy: 0.009
local terms energy: -72.099299
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -174.189093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189093 (E_RNA)
where:
Base-Base interactions energy: -111.299
where: short stacking energy: -49.758
Base-Backbone interact. energy: -0.279
local terms energy: -62.611711
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -175.021272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.021272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.021272 (E_RNA)
where:
Base-Base interactions energy: -101.411
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.407
local terms energy: -73.203214
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -99.179633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.179633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.179633 (E_RNA)
where:
Base-Base interactions energy: -41.157
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.447
local terms energy: -57.575856
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -1.464
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: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -105.620411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.620411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.620411 (E_RNA)
where:
Base-Base interactions energy: -45.748
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.041
local terms energy: -59.831695
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -307.407126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.407126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.407126 (E_RNA)
where:
Base-Base interactions energy: -201.078
where: short stacking energy: -82.654
Base-Backbone interact. energy: -0.276
local terms energy: -106.053040
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -29.815
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -293.300096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.300096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.300096 (E_RNA)
where:
Base-Base interactions energy: -200.068
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.200
local terms energy: -93.031431
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -22.440
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: 173
Temperature: 1.000000
Total energy: -295.684867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.684867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.684867 (E_RNA)
where:
Base-Base interactions energy: -221.354
where: short stacking energy: -79.948
Base-Backbone interact. energy: 0.607
local terms energy: -74.937842
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -258.331525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.331525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.331525 (E_RNA)
where:
Base-Base interactions energy: -171.236
where: short stacking energy: -77.962
Base-Backbone interact. energy: -0.227
local terms energy: -86.868185
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -24.218
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: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -206.062047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.062047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.062047 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -64.371
Base-Backbone interact. energy: -1.069
local terms energy: -73.876272
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -188.113086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.113086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.113086 (E_RNA)
where:
Base-Base interactions energy: -110.602
where: short stacking energy: -45.149
Base-Backbone interact. energy: 0.123
local terms energy: -77.633905
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -216.496716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496716 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.102
local terms energy: -80.733713
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -178.233168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.233168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.233168 (E_RNA)
where:
Base-Base interactions energy: -95.379
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.411
local terms energy: -82.443729
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -100.889099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.889099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.889099 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -30.245
Base-Backbone interact. energy: -1.250
local terms energy: -62.297357
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -92.535370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535370 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -30.660
Base-Backbone interact. energy: 1.725
local terms energy: -63.600831
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -296.825743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.825743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.825743 (E_RNA)
where:
Base-Base interactions energy: -202.576
where: short stacking energy: -92.056
Base-Backbone interact. energy: -1.259
local terms energy: -92.991084
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -24.024
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: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -295.911042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.911042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.911042 (E_RNA)
where:
Base-Base interactions energy: -198.755
where: short stacking energy: -85.942
Base-Backbone interact. energy: -0.103
local terms energy: -97.052578
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -13.706
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: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -296.951977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.951977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.951977 (E_RNA)
where:
Base-Base interactions energy: -202.999
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.347
local terms energy: -93.606282
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -247.893026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.893026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.893026 (E_RNA)
where:
Base-Base interactions energy: -175.759
where: short stacking energy: -67.025
Base-Backbone interact. energy: -0.115
local terms energy: -72.019601
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -11.835
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: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -223.849800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.849800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.849800 (E_RNA)
where:
Base-Base interactions energy: -140.264
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.541
local terms energy: -83.044917
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -212.440684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440684 (E_RNA)
where:
Base-Base interactions energy: -139.248
where: short stacking energy: -55.444
Base-Backbone interact. energy: 3.292
local terms energy: -76.485000
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -216.106749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.106749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.106749 (E_RNA)
where:
Base-Base interactions energy: -135.551
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.962
local terms energy: -79.593878
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -15.301
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -200.351352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.351352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.351352 (E_RNA)
where:
Base-Base interactions energy: -118.969
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.504
local terms energy: -80.879055
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -11.738
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: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -97.791543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.791543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.791543 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -37.167
Base-Backbone interact. energy: -1.279
local terms energy: -56.647461
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -95.329891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.329891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.329891 (E_RNA)
where:
Base-Base interactions energy: -43.844
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.766
local terms energy: -50.720045
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -13.275
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: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -288.217281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.217281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.217281 (E_RNA)
where:
Base-Base interactions energy: -196.873
where: short stacking energy: -87.008
Base-Backbone interact. energy: -0.449
local terms energy: -90.895773
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -295.474740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.474740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.474740 (E_RNA)
where:
Base-Base interactions energy: -200.430
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.294
local terms energy: -94.750854
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -24.202
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -280.275165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.275165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.275165 (E_RNA)
where:
Base-Base interactions energy: -186.300
where: short stacking energy: -79.367
Base-Backbone interact. energy: 1.237
local terms energy: -95.212283
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -28.836
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: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -241.482021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.482021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.482021 (E_RNA)
where:
Base-Base interactions energy: -156.631
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.066
local terms energy: -84.785183
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -245.670004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.670004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.670004 (E_RNA)
where:
Base-Base interactions energy: -158.988
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.009
local terms energy: -86.672429
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -20.870
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: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -209.746398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.746398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746398 (E_RNA)
where:
Base-Base interactions energy: -144.740
where: short stacking energy: -49.437
Base-Backbone interact. energy: 0.596
local terms energy: -65.602036
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -235.425048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.425048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.425048 (E_RNA)
where:
Base-Base interactions energy: -156.658
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.131
local terms energy: -78.636177
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -198.425820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425820 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.465
local terms energy: -75.608648
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -100.491267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.491267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.491267 (E_RNA)
where:
Base-Base interactions energy: -46.635
where: short stacking energy: -23.181
Base-Backbone interact. energy: -0.230
local terms energy: -53.626755
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: 1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -92.222412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222412 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.654
local terms energy: -59.021619
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: 5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -305.859763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.859763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.859763 (E_RNA)
where:
Base-Base interactions energy: -215.877
where: short stacking energy: -86.445
Base-Backbone interact. energy: 0.416
local terms energy: -90.398113
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -282.432927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.432927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.432927 (E_RNA)
where:
Base-Base interactions energy: -183.308
where: short stacking energy: -84.749
Base-Backbone interact. energy: -0.990
local terms energy: -98.135109
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -25.999
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -289.308117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.308117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.308117 (E_RNA)
where:
Base-Base interactions energy: -188.533
where: short stacking energy: -87.689
Base-Backbone interact. energy: -0.002
local terms energy: -100.773099
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -15.188
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: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -234.825315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.825315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.825315 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -66.539
Base-Backbone interact. energy: 0.412
local terms energy: -80.585606
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -15.332
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: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -206.760870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.760870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.760870 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.810
local terms energy: -76.632629
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -11.697
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -246.812955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.812955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.812955 (E_RNA)
where:
Base-Base interactions energy: -158.002
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.032
local terms energy: -88.778949
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -198.104945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.104945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.104945 (E_RNA)
where:
Base-Base interactions energy: -123.321
where: short stacking energy: -52.651
Base-Backbone interact. energy: -0.911
local terms energy: -73.873384
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -229.085549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.085549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.085549 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.311
local terms energy: -84.292439
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -22.416
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: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -130.303629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.303629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.303629 (E_RNA)
where:
Base-Base interactions energy: -76.475
where: short stacking energy: -38.805
Base-Backbone interact. energy: 0.512
local terms energy: -54.340097
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -11.827
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: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -101.959084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.959084 (E_RNA)
where:
Base-Base interactions energy: -46.116
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.167
local terms energy: -55.675490
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -298.969033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.969033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.969033 (E_RNA)
where:
Base-Base interactions energy: -209.554
where: short stacking energy: -79.034
Base-Backbone interact. energy: 0.237
local terms energy: -89.651488
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -27.044
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: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -288.552164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.552164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.552164 (E_RNA)
where:
Base-Base interactions energy: -196.075
where: short stacking energy: -85.972
Base-Backbone interact. energy: -0.299
local terms energy: -92.178292
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -29.060
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: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -283.971135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.971135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971135 (E_RNA)
where:
Base-Base interactions energy: -198.833
where: short stacking energy: -83.782
Base-Backbone interact. energy: -0.076
local terms energy: -85.062742
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -8.286
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: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -268.492961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.492961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.492961 (E_RNA)
where:
Base-Base interactions energy: -177.836
where: short stacking energy: -81.425
Base-Backbone interact. energy: -0.106
local terms energy: -90.551137
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -24.289
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: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -229.663091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.663091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.663091 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -59.402
Base-Backbone interact. energy: -1.642
local terms energy: -78.205931
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -227.797282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.797282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.797282 (E_RNA)
where:
Base-Base interactions energy: -141.252
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.289
local terms energy: -86.256377
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -217.321296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321296 (E_RNA)
where:
Base-Base interactions energy: -149.598
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.087
local terms energy: -67.636584
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -201.617244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617244 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.216
local terms energy: -75.278347
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -130.912932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.912932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.912932 (E_RNA)
where:
Base-Base interactions energy: -76.321
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.109
local terms energy: -54.483727
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -5.542
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -85.367061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.367061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.367061 (E_RNA)
where:
Base-Base interactions energy: -26.213
where: short stacking energy: -24.610
Base-Backbone interact. energy: -0.045
local terms energy: -59.109603
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: 0.154
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: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -294.713012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.713012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.713012 (E_RNA)
where:
Base-Base interactions energy: -198.139
where: short stacking energy: -92.717
Base-Backbone interact. energy: -0.051
local terms energy: -96.522614
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -28.290
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: 178
Temperature: 0.950000
Total energy: -300.487625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.487625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.487625 (E_RNA)
where:
Base-Base interactions energy: -212.243
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.349
local terms energy: -87.895749
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -20.391
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: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -293.622699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.622699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.622699 (E_RNA)
where:
Base-Base interactions energy: -200.200
where: short stacking energy: -86.766
Base-Backbone interact. energy: -0.056
local terms energy: -93.366186
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -16.712
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: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -276.255905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.255905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.255905 (E_RNA)
where:
Base-Base interactions energy: -187.968
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.231
local terms energy: -88.057134
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -24.258
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -225.368836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368836 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -69.352
Base-Backbone interact. energy: -0.249
local terms energy: -77.263786
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -14.685
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: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -214.946052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.946052 (E_RNA)
where:
Base-Base interactions energy: -127.341
where: short stacking energy: -64.689
Base-Backbone interact. energy: -1.169
local terms energy: -86.436217
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -14.291
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: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -205.843371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.843371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.843371 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.703
local terms energy: -76.770824
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -183.095807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.095807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.095807 (E_RNA)
where:
Base-Base interactions energy: -120.445
where: short stacking energy: -45.364
Base-Backbone interact. energy: -0.298
local terms energy: -62.352829
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -147.639838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.639838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.639838 (E_RNA)
where:
Base-Base interactions energy: -87.966
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.276
local terms energy: -59.396932
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -87.928963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.928963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.928963 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -25.361
Base-Backbone interact. energy: 0.031
local terms energy: -56.578771
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -8.580
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -298.661630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.661630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.661630 (E_RNA)
where:
Base-Base interactions energy: -201.458
where: short stacking energy: -90.572
Base-Backbone interact. energy: -0.090
local terms energy: -97.113630
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -28.996
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: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -299.072598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.072598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.072598 (E_RNA)
where:
Base-Base interactions energy: -202.891
where: short stacking energy: -87.616
Base-Backbone interact. energy: -0.583
local terms energy: -95.599363
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -25.676
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: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -296.612938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.612938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.612938 (E_RNA)
where:
Base-Base interactions energy: -201.590
where: short stacking energy: -78.684
Base-Backbone interact. energy: -0.244
local terms energy: -94.778583
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -277.260375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.260375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.260375 (E_RNA)
where:
Base-Base interactions energy: -189.674
where: short stacking energy: -79.178
Base-Backbone interact. energy: -0.231
local terms energy: -87.355445
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -235.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.143900 (E_RNA)
where:
Base-Base interactions energy: -154.995
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.347
local terms energy: -79.801832
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -16.067
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: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -221.220585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.220585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.220585 (E_RNA)
where:
Base-Base interactions energy: -140.494
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.549
local terms energy: -80.177520
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -222.113591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.113591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.113591 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.037
local terms energy: -75.708285
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -155.951509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.951509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.951509 (E_RNA)
where:
Base-Base interactions energy: -88.490
where: short stacking energy: -49.807
Base-Backbone interact. energy: -0.282
local terms energy: -67.180097
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -195.442955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.442955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.442955 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -59.614
Base-Backbone interact. energy: -1.144
local terms energy: -71.046933
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -99.750925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.750925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.750925 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.164
local terms energy: -59.809011
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -291.178285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.178285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.178285 (E_RNA)
where:
Base-Base interactions energy: -195.107
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.232
local terms energy: -95.839960
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -22.411
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: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -300.429199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.429199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.429199 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -89.539
Base-Backbone interact. energy: -0.023
local terms energy: -95.654118
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -291.204237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.204237 (E_RNA)
where:
Base-Base interactions energy: -198.676
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.218
local terms energy: -92.310208
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -251.654733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.654733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.654733 (E_RNA)
where:
Base-Base interactions energy: -165.798
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.090
local terms energy: -85.766547
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -218.957604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.957604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.957604 (E_RNA)
where:
Base-Base interactions energy: -139.650
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.187
local terms energy: -79.120678
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -218.255639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.255639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.255639 (E_RNA)
where:
Base-Base interactions energy: -139.427
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.090
local terms energy: -78.738771
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -8.852
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: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -162.282784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.282784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.282784 (E_RNA)
where:
Base-Base interactions energy: -89.948
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.240
local terms energy: -72.094792
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -199.661252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.661252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.661252 (E_RNA)
where:
Base-Base interactions energy: -126.956
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.204
local terms energy: -72.501379
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -87.007337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.007337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.007337 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.046
local terms energy: -53.252141
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -0.875
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: 180
Temperature: 1.350000
Total energy: -151.699357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.699357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.699357 (E_RNA)
where:
Base-Base interactions energy: -88.747
where: short stacking energy: -47.828
Base-Backbone interact. energy: -0.336
local terms energy: -62.616234
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -287.635013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.635013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.635013 (E_RNA)
where:
Base-Base interactions energy: -194.878
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.133
local terms energy: -92.624120
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -27.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -302.521661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.521661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.521661 (E_RNA)
where:
Base-Base interactions energy: -228.336
where: short stacking energy: -75.037
Base-Backbone interact. energy: 1.210
local terms energy: -75.395279
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -17.912
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: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -292.306404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.306404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.306404 (E_RNA)
where:
Base-Base interactions energy: -187.342
where: short stacking energy: -91.893
Base-Backbone interact. energy: -0.073
local terms energy: -104.891376
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -27.575
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -241.853044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.853044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.853044 (E_RNA)
where:
Base-Base interactions energy: -162.169
where: short stacking energy: -69.482
Base-Backbone interact. energy: -0.637
local terms energy: -79.046408
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -242.597514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.597514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.597514 (E_RNA)
where:
Base-Base interactions energy: -149.471
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.106
local terms energy: -93.020838
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -17.164
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: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -157.499001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.499001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.499001 (E_RNA)
where:
Base-Base interactions energy: -85.571
where: short stacking energy: -38.542
Base-Backbone interact. energy: -0.088
local terms energy: -71.840093
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -198.062679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.062679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.062679 (E_RNA)
where:
Base-Base interactions energy: -142.563
where: short stacking energy: -47.528
Base-Backbone interact. energy: 0.170
local terms energy: -55.669744
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.839
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -193.072269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.072269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.072269 (E_RNA)
where:
Base-Base interactions energy: -118.650
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.460
local terms energy: -73.961667
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -99.371162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.371162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.371162 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.092
local terms energy: -62.082354
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -139.224982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.224982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.224982 (E_RNA)
where:
Base-Base interactions energy: -79.072
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.188
local terms energy: -59.965005
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -300.383076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.383076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.383076 (E_RNA)
where:
Base-Base interactions energy: -212.879
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.324
local terms energy: -87.179903
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -287.729005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.729005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.729005 (E_RNA)
where:
Base-Base interactions energy: -199.165
where: short stacking energy: -83.855
Base-Backbone interact. energy: 0.048
local terms energy: -88.612728
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -279.945550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.945550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.945550 (E_RNA)
where:
Base-Base interactions energy: -190.592
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.088
local terms energy: -89.265701
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -21.659
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -240.290236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.290236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.290236 (E_RNA)
where:
Base-Base interactions energy: -159.280
where: short stacking energy: -70.474
Base-Backbone interact. energy: 1.175
local terms energy: -82.185636
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -18.126
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -261.031478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.031478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.031478 (E_RNA)
where:
Base-Base interactions energy: -164.551
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.114
local terms energy: -96.366324
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -25.975
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -185.186214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.186214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.186214 (E_RNA)
where:
Base-Base interactions energy: -99.235
where: short stacking energy: -50.561
Base-Backbone interact. energy: 0.331
local terms energy: -86.282933
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -16.199
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: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -223.489261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.489261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.489261 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.097
local terms energy: -74.664391
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -193.748305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.748305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.748305 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -48.182
Base-Backbone interact. energy: 2.948
local terms energy: -81.655975
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -103.708076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.708076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.708076 (E_RNA)
where:
Base-Base interactions energy: -45.397
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.163
local terms energy: -58.148705
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -88.611102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.611102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.611102 (E_RNA)
where:
Base-Base interactions energy: -30.140
where: short stacking energy: -30.140
Base-Backbone interact. energy: 3.662
local terms energy: -62.133075
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -305.973102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.973102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.973102 (E_RNA)
where:
Base-Base interactions energy: -214.371
where: short stacking energy: -79.703
Base-Backbone interact. energy: -0.340
local terms energy: -91.263004
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -13.198
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -287.115609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.115609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.115609 (E_RNA)
where:
Base-Base interactions energy: -189.415
where: short stacking energy: -87.837
Base-Backbone interact. energy: -0.066
local terms energy: -97.634568
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -26.167
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -282.740420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.740420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.740420 (E_RNA)
where:
Base-Base interactions energy: -179.928
where: short stacking energy: -78.549
Base-Backbone interact. energy: -0.302
local terms energy: -102.510383
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -24.651
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: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -263.970595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.970595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.970595 (E_RNA)
where:
Base-Base interactions energy: -181.390
where: short stacking energy: -81.428
Base-Backbone interact. energy: 0.200
local terms energy: -82.780474
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -8.411
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: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -237.842372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.842372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.842372 (E_RNA)
where:
Base-Base interactions energy: -164.147
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.109
local terms energy: -73.586233
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -198.812382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.812382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.812382 (E_RNA)
where:
Base-Base interactions energy: -128.205
where: short stacking energy: -50.275
Base-Backbone interact. energy: -0.221
local terms energy: -70.386682
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -207.754854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754854 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -61.039
Base-Backbone interact. energy: 0.489
local terms energy: -72.333112
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -14.841
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -190.131583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.131583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.131583 (E_RNA)
where:
Base-Base interactions energy: -112.196
where: short stacking energy: -43.960
Base-Backbone interact. energy: 2.270
local terms energy: -80.205501
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -106.582866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.582866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.582866 (E_RNA)
where:
Base-Base interactions energy: -46.705
where: short stacking energy: -36.319
Base-Backbone interact. energy: -1.143
local terms energy: -58.734806
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -7.632
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: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -102.454614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.454614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.454614 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -25.067
Base-Backbone interact. energy: 0.656
local terms energy: -64.378749
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -304.224761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.224761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.224761 (E_RNA)
where:
Base-Base interactions energy: -217.168
where: short stacking energy: -80.742
Base-Backbone interact. energy: -0.106
local terms energy: -86.950667
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -293.146817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.146817 (E_RNA)
where:
Base-Base interactions energy: -193.635
where: short stacking energy: -89.691
Base-Backbone interact. energy: -2.119
local terms energy: -97.392533
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -292.511501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.511501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.511501 (E_RNA)
where:
Base-Base interactions energy: -199.297
where: short stacking energy: -86.962
Base-Backbone interact. energy: -0.015
local terms energy: -93.199344
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -278.945470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.945470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.945470 (E_RNA)
where:
Base-Base interactions energy: -185.533
where: short stacking energy: -95.106
Base-Backbone interact. energy: -0.167
local terms energy: -93.245799
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -29.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -244.134705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.134705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.134705 (E_RNA)
where:
Base-Base interactions energy: -155.902
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.003
local terms energy: -88.229858
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -22.030
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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -207.466407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.466407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.466407 (E_RNA)
where:
Base-Base interactions energy: -124.156
where: short stacking energy: -52.134
Base-Backbone interact. energy: 1.717
local terms energy: -85.027764
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -225.384771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.384771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.384771 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -63.234
Base-Backbone interact. energy: 2.020
local terms energy: -83.382769
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -13.006
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -190.264729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.264729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.264729 (E_RNA)
where:
Base-Base interactions energy: -113.060
where: short stacking energy: -50.569
Base-Backbone interact. energy: -1.435
local terms energy: -75.769930
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -92.649660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.649660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.649660 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -24.456
Base-Backbone interact. energy: -0.306
local terms energy: -61.027674
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: 1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -87.958400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.958400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.958400 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -27.343
Base-Backbone interact. energy: 0.808
local terms energy: -61.423371
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: 4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -304.435354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.435354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.435354 (E_RNA)
where:
Base-Base interactions energy: -211.863
where: short stacking energy: -77.476
Base-Backbone interact. energy: 0.716
local terms energy: -93.287932
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -22.123
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: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -294.907930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.907930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.907930 (E_RNA)
where:
Base-Base interactions energy: -194.204
where: short stacking energy: -83.025
Base-Backbone interact. energy: -0.188
local terms energy: -100.515586
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -293.011656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.011656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.011656 (E_RNA)
where:
Base-Base interactions energy: -203.691
where: short stacking energy: -84.803
Base-Backbone interact. energy: -0.206
local terms energy: -89.114496
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -238.189466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.189466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.189466 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -75.059
Base-Backbone interact. energy: 0.609
local terms energy: -85.832596
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -216.424387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.424387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.424387 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.093
local terms energy: -75.892681
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -207.472452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.472452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.472452 (E_RNA)
where:
Base-Base interactions energy: -144.244
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.112
local terms energy: -63.116482
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -207.157862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.157862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.157862 (E_RNA)
where:
Base-Base interactions energy: -129.577
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.109
local terms energy: -77.471958
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -160.674586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.674586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.674586 (E_RNA)
where:
Base-Base interactions energy: -101.670
where: short stacking energy: -42.845
Base-Backbone interact. energy: -0.311
local terms energy: -58.693041
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -103.925059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.925059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.925059 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.009
local terms energy: -69.967098
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -106.986301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.986301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.986301 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.439
local terms energy: -64.028300
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -302.392151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.392151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.392151 (E_RNA)
where:
Base-Base interactions energy: -212.722
where: short stacking energy: -79.653
Base-Backbone interact. energy: -0.537
local terms energy: -89.133128
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -19.591
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: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -290.992987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.992987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.992987 (E_RNA)
where:
Base-Base interactions energy: -199.882
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.046
local terms energy: -91.065322
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -300.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.186726 (E_RNA)
where:
Base-Base interactions energy: -199.749
where: short stacking energy: -77.079
Base-Backbone interact. energy: -0.716
local terms energy: -99.721461
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -242.481693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.481693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.481693 (E_RNA)
where:
Base-Base interactions energy: -147.042
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.009
local terms energy: -95.430836
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -27.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -219.380605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.380605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380605 (E_RNA)
where:
Base-Base interactions energy: -136.551
where: short stacking energy: -61.219
Base-Backbone interact. energy: -1.039
local terms energy: -81.790479
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -219.970752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.970752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.970752 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.093
local terms energy: -86.947662
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -20.560
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: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -208.212743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.212743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.212743 (E_RNA)
where:
Base-Base interactions energy: -131.980
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.507
local terms energy: -75.725412
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -171.646976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.646976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.646976 (E_RNA)
where:
Base-Base interactions energy: -96.020
where: short stacking energy: -48.124
Base-Backbone interact. energy: -0.226
local terms energy: -75.400748
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -98.219891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.219891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.219891 (E_RNA)
where:
Base-Base interactions energy: -40.346
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.337
local terms energy: -57.536828
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -91.963190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963190 (E_RNA)
where:
Base-Base interactions energy: -38.002
where: short stacking energy: -32.889
Base-Backbone interact. energy: 0.142
local terms energy: -54.103430
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: 2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -305.189299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.189299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.189299 (E_RNA)
where:
Base-Base interactions energy: -210.211
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.527
local terms energy: -94.451397
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -15.499
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: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -285.902471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.902471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.902471 (E_RNA)
where:
Base-Base interactions energy: -187.647
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.009
local terms energy: -98.246162
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -26.948
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -276.326935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.326935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.326935 (E_RNA)
where:
Base-Base interactions energy: -181.974
where: short stacking energy: -74.343
Base-Backbone interact. energy: -0.406
local terms energy: -93.947710
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -247.299865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.299865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.299865 (E_RNA)
where:
Base-Base interactions energy: -160.538
where: short stacking energy: -75.781
Base-Backbone interact. energy: -0.134
local terms energy: -86.627863
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -9.443
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: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -237.385522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.385522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.385522 (E_RNA)
where:
Base-Base interactions energy: -146.007
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.289
local terms energy: -91.090127
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -12.280
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: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -211.534279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534279 (E_RNA)
where:
Base-Base interactions energy: -139.173
where: short stacking energy: -60.181
Base-Backbone interact. energy: 0.561
local terms energy: -72.922891
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -200.626613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.626613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.626613 (E_RNA)
where:
Base-Base interactions energy: -131.240
where: short stacking energy: -61.156
Base-Backbone interact. energy: 0.192
local terms energy: -69.579430
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -106.337596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.337596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.337596 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -39.163
Base-Backbone interact. energy: -0.151
local terms energy: -65.010949
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -97.819557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.819557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.819557 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -31.250
Base-Backbone interact. energy: -0.538
local terms energy: -58.927475
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.766
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: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -101.067553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.067553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.067553 (E_RNA)
where:
Base-Base interactions energy: -37.319
where: short stacking energy: -30.015
Base-Backbone interact. energy: -0.176
local terms energy: -63.573117
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -8.018
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -305.061958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.061958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.061958 (E_RNA)
where:
Base-Base interactions energy: -213.100
where: short stacking energy: -78.279
Base-Backbone interact. energy: -0.199
local terms energy: -91.762757
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -296.474463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.474463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.474463 (E_RNA)
where:
Base-Base interactions energy: -193.664
where: short stacking energy: -81.196
Base-Backbone interact. energy: -0.102
local terms energy: -102.708433
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -26.482
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: 188
Temperature: 1.000000
Total energy: -257.645329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.645329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.645329 (E_RNA)
where:
Base-Base interactions energy: -168.625
where: short stacking energy: -91.331
Base-Backbone interact. energy: -0.452
local terms energy: -88.568205
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -271.003008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.003008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.003008 (E_RNA)
where:
Base-Base interactions energy: -187.012
where: short stacking energy: -80.408
Base-Backbone interact. energy: -0.050
local terms energy: -83.940882
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -231.396691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.396691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.396691 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -70.697
Base-Backbone interact. energy: -0.368
local terms energy: -85.025885
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -211.708901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.708901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.708901 (E_RNA)
where:
Base-Base interactions energy: -144.363
where: short stacking energy: -69.871
Base-Backbone interact. energy: 0.874
local terms energy: -68.219246
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -4.401
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: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -209.949077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.949077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.949077 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.063
local terms energy: -72.858831
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -15.296
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: 188
Temperature: 1.250000
Total energy: -108.218896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.218896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.218896 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.738
local terms energy: -70.216281
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -100.664348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.664348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.664348 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -36.392
Base-Backbone interact. energy: -1.234
local terms energy: -52.306058
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -94.585207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.585207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.585207 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.134
local terms energy: -53.430086
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: 2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -305.514932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.514932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.514932 (E_RNA)
where:
Base-Base interactions energy: -209.628
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.243
local terms energy: -95.644370
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -251.160333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.160333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.160333 (E_RNA)
where:
Base-Base interactions energy: -159.414
where: short stacking energy: -69.439
Base-Backbone interact. energy: 0.931
local terms energy: -92.677513
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -277.406342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.406342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.406342 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.053
local terms energy: -89.932757
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -28.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -257.061950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.061950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.061950 (E_RNA)
where:
Base-Base interactions energy: -172.997
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.181
local terms energy: -83.884360
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -21.382
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: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -272.763716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.763716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.763716 (E_RNA)
where:
Base-Base interactions energy: -182.970
where: short stacking energy: -78.998
Base-Backbone interact. energy: -0.106
local terms energy: -89.686838
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -213.613632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.613632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.613632 (E_RNA)
where:
Base-Base interactions energy: -115.654
where: short stacking energy: -55.201
Base-Backbone interact. energy: -1.245
local terms energy: -96.714771
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -219.148282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.148282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.148282 (E_RNA)
where:
Base-Base interactions energy: -149.879
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.536
local terms energy: -68.733814
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -109.220558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.220558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.220558 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -45.520
Base-Backbone interact. energy: 0.967
local terms energy: -64.389208
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -116.437870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.437870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.437870 (E_RNA)
where:
Base-Base interactions energy: -72.145
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.095
local terms energy: -44.197833
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -105.925822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.925822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.925822 (E_RNA)
where:
Base-Base interactions energy: -47.003
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.092
local terms energy: -58.830579
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -266.779398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.779398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.779398 (E_RNA)
where:
Base-Base interactions energy: -175.606
where: short stacking energy: -69.218
Base-Backbone interact. energy: -1.307
local terms energy: -89.866685
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -300.711810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.711810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.711810 (E_RNA)
where:
Base-Base interactions energy: -210.593
where: short stacking energy: -79.111
Base-Backbone interact. energy: -0.628
local terms energy: -89.490770
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -271.733474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.733474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.733474 (E_RNA)
where:
Base-Base interactions energy: -175.158
where: short stacking energy: -74.567
Base-Backbone interact. energy: -0.007
local terms energy: -96.569145
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -282.616852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.616852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.616852 (E_RNA)
where:
Base-Base interactions energy: -189.952
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.027
local terms energy: -92.637709
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -27.479
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: 190
Temperature: 1.100000
Total energy: -267.427445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.427445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.427445 (E_RNA)
where:
Base-Base interactions energy: -182.935
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.038
local terms energy: -84.455072
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -212.057728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.057728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.057728 (E_RNA)
where:
Base-Base interactions energy: -136.921
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.111
local terms energy: -75.025275
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -217.113448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.113448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.113448 (E_RNA)
where:
Base-Base interactions energy: -146.916
where: short stacking energy: -61.924
Base-Backbone interact. energy: -0.468
local terms energy: -69.729693
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -16.975
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: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -107.474273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.474273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.474273 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -42.754
Base-Backbone interact. energy: -0.076
local terms energy: -59.324039
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -1.330
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: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -111.128039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.128039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.128039 (E_RNA)
where:
Base-Base interactions energy: -61.186
where: short stacking energy: -27.866
Base-Backbone interact. energy: 2.272
local terms energy: -52.214307
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -89.840883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.840883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.840883 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -28.427
Base-Backbone interact. energy: -0.144
local terms energy: -54.960278
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -272.301472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.301472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.301472 (E_RNA)
where:
Base-Base interactions energy: -196.467
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.038
local terms energy: -75.796485
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -300.470151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.470151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.470151 (E_RNA)
where:
Base-Base interactions energy: -209.823
where: short stacking energy: -81.692
Base-Backbone interact. energy: -0.248
local terms energy: -90.399118
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -275.916843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.916843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.916843 (E_RNA)
where:
Base-Base interactions energy: -176.437
where: short stacking energy: -80.460
Base-Backbone interact. energy: 0.225
local terms energy: -99.704868
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -270.474547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.474547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.474547 (E_RNA)
where:
Base-Base interactions energy: -182.846
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.449
local terms energy: -87.178805
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -259.841234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.841234 (E_RNA)
where:
Base-Base interactions energy: -177.382
where: short stacking energy: -80.234
Base-Backbone interact. energy: -0.088
local terms energy: -82.371006
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -11.453
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: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -231.537767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.537767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.537767 (E_RNA)
where:
Base-Base interactions energy: -149.230
where: short stacking energy: -61.603
Base-Backbone interact. energy: 0.118
local terms energy: -82.426137
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -8.708
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: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -215.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324831 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -66.148
Base-Backbone interact. energy: 0.643
local terms energy: -78.946902
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -130.009328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.009328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.009328 (E_RNA)
where:
Base-Base interactions energy: -59.268
where: short stacking energy: -27.969
Base-Backbone interact. energy: 1.134
local terms energy: -71.875935
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -2.303
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: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -101.641708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.641708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.641708 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -40.207
Base-Backbone interact. energy: 1.912
local terms energy: -60.662487
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -91.103754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103754 (E_RNA)
where:
Base-Base interactions energy: -24.908
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.607
local terms energy: -65.589015
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -301.669437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.669437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.669437 (E_RNA)
where:
Base-Base interactions energy: -210.425
where: short stacking energy: -75.674
Base-Backbone interact. energy: -0.249
local terms energy: -90.995313
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -14.833
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: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -266.535063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.535063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.535063 (E_RNA)
where:
Base-Base interactions energy: -183.990
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.200
local terms energy: -82.345290
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.296
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: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -257.543115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.543115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.543115 (E_RNA)
where:
Base-Base interactions energy: -169.471
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.862
local terms energy: -87.210557
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -264.023216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.023216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.023216 (E_RNA)
where:
Base-Base interactions energy: -174.937
where: short stacking energy: -72.064
Base-Backbone interact. energy: -0.142
local terms energy: -88.943938
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -250.027188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.027188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.027188 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.013
local terms energy: -96.124393
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -233.466064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.466064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.466064 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.078
local terms energy: -85.636252
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -228.450609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.450609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.450609 (E_RNA)
where:
Base-Base interactions energy: -155.026
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.241
local terms energy: -73.183998
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -9.400
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: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -146.260452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.260452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.260452 (E_RNA)
where:
Base-Base interactions energy: -75.813
where: short stacking energy: -36.341
Base-Backbone interact. energy: -0.105
local terms energy: -70.341773
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -104.773299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.773299 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -31.181
Base-Backbone interact. energy: -0.800
local terms energy: -70.439725
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -5.658
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: 192
Temperature: 1.350000
Total energy: -95.204516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.204516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.204516 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.373
local terms energy: -48.928814
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: 2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -310.097699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.097699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.097699 (E_RNA)
where:
Base-Base interactions energy: -222.010
where: short stacking energy: -86.151
Base-Backbone interact. energy: 0.188
local terms energy: -88.275937
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -15.411
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -278.000392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.000392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.000392 (E_RNA)
where:
Base-Base interactions energy: -184.917
where: short stacking energy: -87.125
Base-Backbone interact. energy: -0.106
local terms energy: -92.977178
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -269.592780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.592780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.592780 (E_RNA)
where:
Base-Base interactions energy: -182.994
where: short stacking energy: -70.762
Base-Backbone interact. energy: 0.430
local terms energy: -87.028783
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -276.080245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.080245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.080245 (E_RNA)
where:
Base-Base interactions energy: -186.610
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.004
local terms energy: -89.466199
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -271.289709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.289709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.289709 (E_RNA)
where:
Base-Base interactions energy: -183.433
where: short stacking energy: -86.955
Base-Backbone interact. energy: -0.038
local terms energy: -87.818836
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -13.284
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: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -262.399234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.399234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.399234 (E_RNA)
where:
Base-Base interactions energy: -172.728
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.159
local terms energy: -89.512245
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.703
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -216.121488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.121488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.121488 (E_RNA)
where:
Base-Base interactions energy: -151.157
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.384
local terms energy: -64.580476
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -94.868703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.868703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.868703 (E_RNA)
where:
Base-Base interactions energy: -34.764
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.259
local terms energy: -59.845823
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -135.579240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.579240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.579240 (E_RNA)
where:
Base-Base interactions energy: -75.583
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.335
local terms energy: -59.661674
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -90.888107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.888107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.888107 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -36.635
Base-Backbone interact. energy: -0.201
local terms energy: -54.452839
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -300.980090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.980090 (E_RNA)
where:
Base-Base interactions energy: -209.126
where: short stacking energy: -81.408
Base-Backbone interact. energy: 0.445
local terms energy: -92.299026
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -268.059076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.059076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.059076 (E_RNA)
where:
Base-Base interactions energy: -175.834
where: short stacking energy: -80.608
Base-Backbone interact. energy: -0.587
local terms energy: -91.638644
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -20.698
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: 194
Temperature: 1.000000
Total energy: -271.653031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.653031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.653031 (E_RNA)
where:
Base-Base interactions energy: -185.056
where: short stacking energy: -79.952
Base-Backbone interact. energy: 1.674
local terms energy: -88.271182
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -19.885
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -251.938649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.938649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.938649 (E_RNA)
where:
Base-Base interactions energy: -166.812
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.324
local terms energy: -84.802888
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -253.862079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.862079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.862079 (E_RNA)
where:
Base-Base interactions energy: -162.715
where: short stacking energy: -75.899
Base-Backbone interact. energy: -0.094
local terms energy: -91.053531
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -223.210170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.210170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.210170 (E_RNA)
where:
Base-Base interactions energy: -144.152
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.146
local terms energy: -78.912273
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -203.921966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.921966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.921966 (E_RNA)
where:
Base-Base interactions energy: -125.534
where: short stacking energy: -47.984
Base-Backbone interact. energy: -0.623
local terms energy: -77.764975
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -144.993373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.993373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.993373 (E_RNA)
where:
Base-Base interactions energy: -73.467
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.348
local terms energy: -71.178479
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -9.237
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: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -95.301573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.301573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.301573 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -28.040
Base-Backbone interact. energy: -0.301
local terms energy: -66.960301
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -12.221
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: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -93.135710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.135710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.135710 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.231
local terms energy: -53.456086
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -305.384371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.384371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.384371 (E_RNA)
where:
Base-Base interactions energy: -213.297
where: short stacking energy: -81.802
Base-Backbone interact. energy: -0.205
local terms energy: -91.882098
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -281.381766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.381766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.381766 (E_RNA)
where:
Base-Base interactions energy: -185.842
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.495
local terms energy: -95.044559
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -10.620
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: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -276.639508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639508 (E_RNA)
where:
Base-Base interactions energy: -179.838
where: short stacking energy: -83.223
Base-Backbone interact. energy: 0.560
local terms energy: -97.361588
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -11.265
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: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -281.237992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.237992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.237992 (E_RNA)
where:
Base-Base interactions energy: -188.943
where: short stacking energy: -82.010
Base-Backbone interact. energy: -0.436
local terms energy: -91.859804
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -236.729234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.729234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.729234 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.033
local terms energy: -84.049014
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -211.266087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.266087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266087 (E_RNA)
where:
Base-Base interactions energy: -126.831
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.047
local terms energy: -84.387571
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -195.538189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.538189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538189 (E_RNA)
where:
Base-Base interactions energy: -117.526
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.158
local terms energy: -77.853651
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -115.523241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.523241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.523241 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -54.738
Base-Backbone interact. energy: 0.536
local terms energy: -59.944728
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -98.063264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.063264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.063264 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -27.292
Base-Backbone interact. energy: 0.649
local terms energy: -69.357044
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -94.282919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.282919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.282919 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -35.650
Base-Backbone interact. energy: -0.026
local terms energy: -58.606971
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -306.054828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.054828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.054828 (E_RNA)
where:
Base-Base interactions energy: -208.526
where: short stacking energy: -81.338
Base-Backbone interact. energy: -0.545
local terms energy: -96.984158
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -284.982959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.982959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.982959 (E_RNA)
where:
Base-Base interactions energy: -194.327
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.624
local terms energy: -90.031619
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -286.994947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.994947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.994947 (E_RNA)
where:
Base-Base interactions energy: -187.242
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.046
local terms energy: -99.707362
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -16.444
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -272.129073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.129073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.129073 (E_RNA)
where:
Base-Base interactions energy: -179.307
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.022
local terms energy: -92.800180
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -255.823559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.823559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.823559 (E_RNA)
where:
Base-Base interactions energy: -163.225
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.598
local terms energy: -92.000794
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -214.992839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.992839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.992839 (E_RNA)
where:
Base-Base interactions energy: -134.326
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.002
local terms energy: -80.664951
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -207.060647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.060647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.060647 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -55.710
Base-Backbone interact. energy: -0.312
local terms energy: -69.904805
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -13.653
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: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -102.004922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.004922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.004922 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -28.032
Base-Backbone interact. energy: -0.484
local terms energy: -66.969565
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -98.532129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.532129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.532129 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -30.233
Base-Backbone interact. energy: -0.762
local terms energy: -45.460515
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: 7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -103.410307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.410307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.410307 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.069
local terms energy: -65.901679
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.078
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -307.152386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.152386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.152386 (E_RNA)
where:
Base-Base interactions energy: -213.640
where: short stacking energy: -81.097
Base-Backbone interact. energy: 0.005
local terms energy: -93.517397
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -281.383872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.383872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.383872 (E_RNA)
where:
Base-Base interactions energy: -185.798
where: short stacking energy: -81.377
Base-Backbone interact. energy: -0.048
local terms energy: -95.537644
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -291.875930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.875930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.875930 (E_RNA)
where:
Base-Base interactions energy: -193.096
where: short stacking energy: -94.085
Base-Backbone interact. energy: -0.062
local terms energy: -98.718488
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -252.456509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.456509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.456509 (E_RNA)
where:
Base-Base interactions energy: -167.545
where: short stacking energy: -73.775
Base-Backbone interact. energy: -0.052
local terms energy: -84.859144
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -15.061
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: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -263.944182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.944182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.944182 (E_RNA)
where:
Base-Base interactions energy: -163.671
where: short stacking energy: -80.668
Base-Backbone interact. energy: -1.598
local terms energy: -98.674738
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -199.748262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.748262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.748262 (E_RNA)
where:
Base-Base interactions energy: -128.405
where: short stacking energy: -49.171
Base-Backbone interact. energy: -0.716
local terms energy: -70.626954
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -218.634810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.634810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.634810 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -72.860
Base-Backbone interact. energy: -0.138
local terms energy: -80.878171
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -105.868502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.868502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.868502 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -26.308
Base-Backbone interact. energy: -0.346
local terms energy: -67.919662
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -124.718444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.718444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.718444 (E_RNA)
where:
Base-Base interactions energy: -68.458
where: short stacking energy: -44.138
Base-Backbone interact. energy: 0.233
local terms energy: -56.493799
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -2.802
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: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -96.054138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.054138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.054138 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -28.098
Base-Backbone interact. energy: -1.166
local terms energy: -54.089510
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: 4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -283.778282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.778282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.778282 (E_RNA)
where:
Base-Base interactions energy: -188.306
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.108
local terms energy: -95.363960
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -298.760034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.760034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.760034 (E_RNA)
where:
Base-Base interactions energy: -214.045
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.827
local terms energy: -83.888529
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -264.460592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.460592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.460592 (E_RNA)
where:
Base-Base interactions energy: -184.569
where: short stacking energy: -72.866
Base-Backbone interact. energy: -0.011
local terms energy: -79.880979
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -265.530299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.530299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.530299 (E_RNA)
where:
Base-Base interactions energy: -179.575
where: short stacking energy: -87.362
Base-Backbone interact. energy: -0.219
local terms energy: -85.736654
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -250.523770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.523770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.523770 (E_RNA)
where:
Base-Base interactions energy: -163.682
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.821
local terms energy: -86.021095
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -25.221
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -188.126355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126355 (E_RNA)
where:
Base-Base interactions energy: -117.070
where: short stacking energy: -51.373
Base-Backbone interact. energy: -0.493
local terms energy: -70.562788
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -235.124179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.124179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.124179 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.007
local terms energy: -83.218604
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -24.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -95.868904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.868904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.868904 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.079
local terms energy: -54.048976
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -106.690178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.690178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.690178 (E_RNA)
where:
Base-Base interactions energy: -46.785
where: short stacking energy: -21.584
Base-Backbone interact. energy: -0.794
local terms energy: -59.111479
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -90.155417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155417 (E_RNA)
where:
Base-Base interactions energy: -39.581
where: short stacking energy: -18.335
Base-Backbone interact. energy: -0.162
local terms energy: -50.412535
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: 3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -288.153913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.153913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.153913 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -86.017
Base-Backbone interact. energy: -0.084
local terms energy: -94.885623
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -24.944
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: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -274.651703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.651703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.651703 (E_RNA)
where:
Base-Base interactions energy: -188.133
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.155
local terms energy: -86.363930
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -294.538066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.538066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.538066 (E_RNA)
where:
Base-Base interactions energy: -208.716
where: short stacking energy: -74.083
Base-Backbone interact. energy: 0.695
local terms energy: -86.516507
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -22.035
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -285.439145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.439145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.439145 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -80.780
Base-Backbone interact. energy: -0.016
local terms energy: -102.918609
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -28.896
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: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -244.495476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.495476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.495476 (E_RNA)
where:
Base-Base interactions energy: -153.947
where: short stacking energy: -64.149
Base-Backbone interact. energy: 1.426
local terms energy: -91.973634
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -19.043
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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -219.614415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.614415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.614415 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.145
local terms energy: -76.550696
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -18.279
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: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -173.477474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.477474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.477474 (E_RNA)
where:
Base-Base interactions energy: -106.241
where: short stacking energy: -55.679
Base-Backbone interact. energy: -0.239
local terms energy: -66.996938
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: 1.352
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -102.036186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036186 (E_RNA)
where:
Base-Base interactions energy: -50.469
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.544
local terms energy: -51.023275
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -100.481934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.481934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.481934 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -35.718
Base-Backbone interact. energy: -1.113
local terms energy: -55.473584
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -99.170544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170544 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -31.781
Base-Backbone interact. energy: -0.199
local terms energy: -67.190646
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -289.171907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.171907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.171907 (E_RNA)
where:
Base-Base interactions energy: -195.085
where: short stacking energy: -82.775
Base-Backbone interact. energy: -0.101
local terms energy: -93.985741
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -22.720
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: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -249.786182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.786182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.786182 (E_RNA)
where:
Base-Base interactions energy: -152.618
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.181
local terms energy: -96.987831
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -291.604903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.604903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.604903 (E_RNA)
where:
Base-Base interactions energy: -201.416
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.213
local terms energy: -89.976014
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -269.998357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.998357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.998357 (E_RNA)
where:
Base-Base interactions energy: -181.546
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.204
local terms energy: -88.248086
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -256.584351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.584351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.584351 (E_RNA)
where:
Base-Base interactions energy: -174.327
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.144
local terms energy: -82.113547
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -21.484
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: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -246.601408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.601408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.601408 (E_RNA)
where:
Base-Base interactions energy: -155.744
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.296
local terms energy: -90.560916
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -183.781029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.781029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.781029 (E_RNA)
where:
Base-Base interactions energy: -109.929
where: short stacking energy: -51.468
Base-Backbone interact. energy: -0.482
local terms energy: -73.370596
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -10.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -113.662771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.662771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.662771 (E_RNA)
where:
Base-Base interactions energy: -49.930
where: short stacking energy: -43.849
Base-Backbone interact. energy: 1.021
local terms energy: -64.753911
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -102.928775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.928775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.928775 (E_RNA)
where:
Base-Base interactions energy: -50.528
where: short stacking energy: -32.677
Base-Backbone interact. energy: 0.796
local terms energy: -53.196314
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -5.367
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: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -96.133295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.133295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.133295 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -29.347
Base-Backbone interact. energy: 0.275
local terms energy: -57.812972
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -278.476617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.476617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.476617 (E_RNA)
where:
Base-Base interactions energy: -185.571
where: short stacking energy: -77.655
Base-Backbone interact. energy: -0.460
local terms energy: -92.445142
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -298.810989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.810989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.810989 (E_RNA)
where:
Base-Base interactions energy: -212.780
where: short stacking energy: -82.698
Base-Backbone interact. energy: -0.058
local terms energy: -85.972927
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -268.280674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.280674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.280674 (E_RNA)
where:
Base-Base interactions energy: -179.139
where: short stacking energy: -79.273
Base-Backbone interact. energy: -1.543
local terms energy: -87.598430
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -273.082891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.082891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.082891 (E_RNA)
where:
Base-Base interactions energy: -172.514
where: short stacking energy: -86.238
Base-Backbone interact. energy: -0.421
local terms energy: -100.148641
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -14.520
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: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -266.319664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.319664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.319664 (E_RNA)
where:
Base-Base interactions energy: -185.851
where: short stacking energy: -84.359
Base-Backbone interact. energy: -0.026
local terms energy: -80.443178
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -24.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -247.231882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.231882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.231882 (E_RNA)
where:
Base-Base interactions energy: -165.652
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.510
local terms energy: -81.069571
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -183.303088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.303088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.303088 (E_RNA)
where:
Base-Base interactions energy: -108.191
where: short stacking energy: -51.689
Base-Backbone interact. energy: 0.072
local terms energy: -75.184455
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -105.267726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.267726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.267726 (E_RNA)
where:
Base-Base interactions energy: -52.390
where: short stacking energy: -46.824
Base-Backbone interact. energy: -0.329
local terms energy: -52.549530
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -110.824132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.824132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.824132 (E_RNA)
where:
Base-Base interactions energy: -51.507
where: short stacking energy: -40.959
Base-Backbone interact. energy: -0.083
local terms energy: -59.233862
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -91.936677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.936677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.936677 (E_RNA)
where:
Base-Base interactions energy: -41.682
where: short stacking energy: -23.127
Base-Backbone interact. energy: -0.130
local terms energy: -50.123894
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: 5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -304.785629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.785629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.785629 (E_RNA)
where:
Base-Base interactions energy: -217.273
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.555
local terms energy: -86.957329
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -20.473
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: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -283.603087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.603087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.603087 (E_RNA)
where:
Base-Base interactions energy: -188.751
where: short stacking energy: -82.461
Base-Backbone interact. energy: -0.624
local terms energy: -94.228763
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -273.159134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.159134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.159134 (E_RNA)
where:
Base-Base interactions energy: -192.175
where: short stacking energy: -87.609
Base-Backbone interact. energy: -0.408
local terms energy: -80.575735
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -271.554236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.554236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.554236 (E_RNA)
where:
Base-Base interactions energy: -184.662
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.097
local terms energy: -86.795377
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -21.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -266.832884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.832884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.832884 (E_RNA)
where:
Base-Base interactions energy: -179.000
where: short stacking energy: -78.707
Base-Backbone interact. energy: 0.336
local terms energy: -88.169309
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -214.514603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.514603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.514603 (E_RNA)
where:
Base-Base interactions energy: -132.675
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.038
local terms energy: -81.802006
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -17.555
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: 202
Temperature: 1.200000
Total energy: -185.009243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.009243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.009243 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -46.155
Base-Backbone interact. energy: -0.489
local terms energy: -76.139177
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -105.348392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.348392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.348392 (E_RNA)
where:
Base-Base interactions energy: -38.502
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.185
local terms energy: -66.661391
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -9.871
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: 9, replica: 5
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -119.624257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.624257 (E_RNA)
where:
Base-Base interactions energy: -51.681
where: short stacking energy: -37.641
Base-Backbone interact. energy: 0.932
local terms energy: -68.874411
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -7.082
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: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -100.022772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022772 (E_RNA)
where:
Base-Base interactions energy: -38.841
where: short stacking energy: -37.847
Base-Backbone interact. energy: -0.196
local terms energy: -60.986348
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -4.708
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -306.754944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.754944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.754944 (E_RNA)
where:
Base-Base interactions energy: -214.235
where: short stacking energy: -77.025
Base-Backbone interact. energy: -0.209
local terms energy: -92.311548
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -297.751028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.751028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.751028 (E_RNA)
where:
Base-Base interactions energy: -205.319
where: short stacking energy: -81.336
Base-Backbone interact. energy: -0.004
local terms energy: -92.428584
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -256.066288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.066288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.066288 (E_RNA)
where:
Base-Base interactions energy: -170.004
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.652
local terms energy: -85.410529
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -265.711092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.711092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.711092 (E_RNA)
where:
Base-Base interactions energy: -189.266
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.024
local terms energy: -76.421784
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -271.857083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.857083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.857083 (E_RNA)
where:
Base-Base interactions energy: -176.488
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.596
local terms energy: -94.773224
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -205.385570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.385570 (E_RNA)
where:
Base-Base interactions energy: -127.944
where: short stacking energy: -56.495
Base-Backbone interact. energy: -0.292
local terms energy: -77.148805
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -13.317
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: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -156.806008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.806008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.806008 (E_RNA)
where:
Base-Base interactions energy: -86.928
where: short stacking energy: -41.016
Base-Backbone interact. energy: -0.343
local terms energy: -69.534934
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -7.934
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -129.517560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.517560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.517560 (E_RNA)
where:
Base-Base interactions energy: -72.512
where: short stacking energy: -46.500
Base-Backbone interact. energy: 0.067
local terms energy: -57.071960
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -109.321220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.321220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.321220 (E_RNA)
where:
Base-Base interactions energy: -56.033
where: short stacking energy: -15.278
Base-Backbone interact. energy: -1.311
local terms energy: -51.977189
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: 6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -93.541304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.541304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.541304 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.505
local terms energy: -54.272613
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -306.294354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.294354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.294354 (E_RNA)
where:
Base-Base interactions energy: -216.802
where: short stacking energy: -82.473
Base-Backbone interact. energy: -0.216
local terms energy: -89.276037
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -20.255
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: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -290.964814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.964814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.964814 (E_RNA)
where:
Base-Base interactions energy: -206.377
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.004
local terms energy: -84.583343
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -15.062
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: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -295.052830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.052830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.052830 (E_RNA)
where:
Base-Base interactions energy: -206.894
where: short stacking energy: -95.904
Base-Backbone interact. energy: -0.019
local terms energy: -88.139464
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -266.764685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.764685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.764685 (E_RNA)
where:
Base-Base interactions energy: -177.908
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.692
local terms energy: -88.164309
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -231.685506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.685506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.685506 (E_RNA)
where:
Base-Base interactions energy: -151.257
where: short stacking energy: -54.538
Base-Backbone interact. energy: 0.078
local terms energy: -80.505781
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -226.268580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.268580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.268580 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.921
local terms energy: -75.536604
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -9.979
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: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -185.166508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.166508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.166508 (E_RNA)
where:
Base-Base interactions energy: -116.325
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.065
local terms energy: -68.776418
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -10.797
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -115.614510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.614510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.614510 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.388
local terms energy: -72.691009
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -95.539370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.539370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.539370 (E_RNA)
where:
Base-Base interactions energy: -46.953
where: short stacking energy: -28.509
Base-Backbone interact. energy: 0.034
local terms energy: -48.620256
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -112.172155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.172155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.172155 (E_RNA)
where:
Base-Base interactions energy: -46.878
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.184
local terms energy: -65.110285
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -302.589108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.589108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.589108 (E_RNA)
where:
Base-Base interactions energy: -206.709
where: short stacking energy: -76.297
Base-Backbone interact. energy: -0.200
local terms energy: -95.679633
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -295.559830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.559830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.559830 (E_RNA)
where:
Base-Base interactions energy: -190.686
where: short stacking energy: -95.771
Base-Backbone interact. energy: -0.016
local terms energy: -104.857630
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -288.330968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.330968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.330968 (E_RNA)
where:
Base-Base interactions energy: -191.794
where: short stacking energy: -82.910
Base-Backbone interact. energy: -0.289
local terms energy: -96.248495
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.605
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: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -252.337354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.337354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.337354 (E_RNA)
where:
Base-Base interactions energy: -172.330
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.010
local terms energy: -79.997776
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -227.456923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.456923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.456923 (E_RNA)
where:
Base-Base interactions energy: -158.843
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.125
local terms energy: -68.489040
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -212.867536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867536 (E_RNA)
where:
Base-Base interactions energy: -144.781
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.331
local terms energy: -67.756233
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -179.840959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.840959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.840959 (E_RNA)
where:
Base-Base interactions energy: -101.475
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.157
local terms energy: -78.208981
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -126.871763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.871763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.871763 (E_RNA)
where:
Base-Base interactions energy: -50.658
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.067
local terms energy: -76.146566
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -11.310
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: 205
Temperature: 1.300000
Total energy: -112.858840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.858840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.858840 (E_RNA)
where:
Base-Base interactions energy: -66.450
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.232
local terms energy: -46.177323
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -101.625347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.625347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.625347 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.234
local terms energy: -60.286445
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -1.094
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -309.719776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.719776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.719776 (E_RNA)
where:
Base-Base interactions energy: -214.305
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.301
local terms energy: -95.114006
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -9.844
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: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -292.353434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.353434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.353434 (E_RNA)
where:
Base-Base interactions energy: -191.595
where: short stacking energy: -92.730
Base-Backbone interact. energy: -2.631
local terms energy: -98.127833
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -295.936212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.936212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.936212 (E_RNA)
where:
Base-Base interactions energy: -201.530
where: short stacking energy: -86.748
Base-Backbone interact. energy: -0.043
local terms energy: -94.363152
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -23.325
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: 206
Temperature: 1.050000
Total energy: -272.961230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.961230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.961230 (E_RNA)
where:
Base-Base interactions energy: -188.825
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.555
local terms energy: -83.581273
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -247.198415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.198415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.198415 (E_RNA)
where:
Base-Base interactions energy: -154.869
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.286
local terms energy: -92.042712
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -224.409916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409916 (E_RNA)
where:
Base-Base interactions energy: -146.065
where: short stacking energy: -69.431
Base-Backbone interact. energy: -0.102
local terms energy: -78.243110
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -186.523047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.523047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.523047 (E_RNA)
where:
Base-Base interactions energy: -107.960
where: short stacking energy: -47.825
Base-Backbone interact. energy: -1.162
local terms energy: -77.401344
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -104.926348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.926348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.926348 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.082
local terms energy: -73.249006
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -108.228945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.228945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.228945 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -30.820
Base-Backbone interact. energy: -0.122
local terms energy: -70.532738
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -7.401
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: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -99.929729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.929729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.929729 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -18.902
Base-Backbone interact. energy: -0.288
local terms energy: -50.774099
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -20.610
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -2.275
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: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -307.034350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.034350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.034350 (E_RNA)
where:
Base-Base interactions energy: -213.735
where: short stacking energy: -78.623
Base-Backbone interact. energy: -0.215
local terms energy: -93.084875
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -21.503
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: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -298.887371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.887371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.887371 (E_RNA)
where:
Base-Base interactions energy: -202.892
where: short stacking energy: -92.023
Base-Backbone interact. energy: 0.411
local terms energy: -96.406195
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -282.147841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.147841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.147841 (E_RNA)
where:
Base-Base interactions energy: -180.700
where: short stacking energy: -86.527
Base-Backbone interact. energy: -0.062
local terms energy: -101.386053
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -26.307
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: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -282.383073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.383073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.383073 (E_RNA)
where:
Base-Base interactions energy: -191.180
where: short stacking energy: -81.027
Base-Backbone interact. energy: -0.423
local terms energy: -90.780452
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -235.751996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.751996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.751996 (E_RNA)
where:
Base-Base interactions energy: -153.145
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.184
local terms energy: -82.422704
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -208.614119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.614119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.614119 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -63.167
Base-Backbone interact. energy: -1.114
local terms energy: -68.152562
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -230.598927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.598927 (E_RNA)
where:
Base-Base interactions energy: -147.527
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.089
local terms energy: -82.982769
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -107.928473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.928473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.928473 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -33.208
Base-Backbone interact. energy: -0.098
local terms energy: -70.985510
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -6.630
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: 207
Temperature: 1.300000
Total energy: -107.956312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.956312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.956312 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -27.653
Base-Backbone interact. energy: -1.256
local terms energy: -65.210043
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -91.339696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.339696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.339696 (E_RNA)
where:
Base-Base interactions energy: -27.587
where: short stacking energy: -25.924
Base-Backbone interact. energy: -0.243
local terms energy: -63.509820
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -302.395579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.395579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.395579 (E_RNA)
where:
Base-Base interactions energy: -201.046
where: short stacking energy: -96.265
Base-Backbone interact. energy: -0.039
local terms energy: -101.310934
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -306.172592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.172592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.172592 (E_RNA)
where:
Base-Base interactions energy: -208.822
where: short stacking energy: -82.279
Base-Backbone interact. energy: -0.230
local terms energy: -97.120774
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -282.749018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.749018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.749018 (E_RNA)
where:
Base-Base interactions energy: -184.076
where: short stacking energy: -77.273
Base-Backbone interact. energy: -0.024
local terms energy: -98.648393
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -28.540
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: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -265.448174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.448174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.448174 (E_RNA)
where:
Base-Base interactions energy: -178.808
where: short stacking energy: -83.800
Base-Backbone interact. energy: -0.312
local terms energy: -86.328799
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.559
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: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -198.022277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.022277 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -55.960
Base-Backbone interact. energy: 0.145
local terms energy: -64.304700
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: 0.546
tors. eta vs tors. theta energy: -10.491
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -219.585778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.585778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.585778 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -72.897
Base-Backbone interact. energy: -0.028
local terms energy: -80.724023
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -258.068410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.068410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.068410 (E_RNA)
where:
Base-Base interactions energy: -169.840
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.273
local terms energy: -87.955353
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -23.582
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: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -102.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.857127 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -24.318
Base-Backbone interact. energy: -0.066
local terms energy: -65.361769
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -127.918295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.918295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.918295 (E_RNA)
where:
Base-Base interactions energy: -73.044
where: short stacking energy: -46.329
Base-Backbone interact. energy: 1.868
local terms energy: -56.741867
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -88.030921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030921 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -34.516
Base-Backbone interact. energy: -0.237
local terms energy: -53.277440
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -297.945294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.945294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.945294 (E_RNA)
where:
Base-Base interactions energy: -199.793
where: short stacking energy: -92.192
Base-Backbone interact. energy: 0.037
local terms energy: -98.189406
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -297.789495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.789495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.789495 (E_RNA)
where:
Base-Base interactions energy: -203.176
where: short stacking energy: -69.706
Base-Backbone interact. energy: -0.405
local terms energy: -94.208794
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -280.175096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.175096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.175096 (E_RNA)
where:
Base-Base interactions energy: -181.040
where: short stacking energy: -86.749
Base-Backbone interact. energy: -0.763
local terms energy: -98.371789
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -13.078
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: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -259.827631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.827631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.827631 (E_RNA)
where:
Base-Base interactions energy: -172.899
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.620
local terms energy: -86.308419
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -10.421
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -217.907451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.907451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.907451 (E_RNA)
where:
Base-Base interactions energy: -140.375
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.145
local terms energy: -77.387351
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -271.549383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.549383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.549383 (E_RNA)
where:
Base-Base interactions energy: -189.293
where: short stacking energy: -77.869
Base-Backbone interact. energy: -0.158
local terms energy: -82.098386
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -14.158
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: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -189.381098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.381098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.381098 (E_RNA)
where:
Base-Base interactions energy: -120.446
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.238
local terms energy: -68.697197
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -104.302329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302329 (E_RNA)
where:
Base-Base interactions energy: -49.237
where: short stacking energy: -34.827
Base-Backbone interact. energy: 0.294
local terms energy: -55.359173
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -8.075
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: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -92.571187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.571187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.571187 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.674
local terms energy: -43.705463
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: 3.518
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: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -99.844654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.844654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.844654 (E_RNA)
where:
Base-Base interactions energy: -43.790
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.184
local terms energy: -55.871039
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -310.917635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.917635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.917635 (E_RNA)
where:
Base-Base interactions energy: -209.577
where: short stacking energy: -74.833
Base-Backbone interact. energy: -1.418
local terms energy: -99.922677
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -295.413823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.413823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.413823 (E_RNA)
where:
Base-Base interactions energy: -208.514
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.012
local terms energy: -86.887912
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.763
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: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -292.268686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.268686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.268686 (E_RNA)
where:
Base-Base interactions energy: -193.159
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.010
local terms energy: -99.100103
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -260.794003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.794003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.794003 (E_RNA)
where:
Base-Base interactions energy: -177.237
where: short stacking energy: -63.248
Base-Backbone interact. energy: 1.570
local terms energy: -85.127601
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -237.286546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.286546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.286546 (E_RNA)
where:
Base-Base interactions energy: -158.178
where: short stacking energy: -76.852
Base-Backbone interact. energy: -0.368
local terms energy: -78.740660
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -21.373
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: 210
Temperature: 1.150000
Total energy: -219.391001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391001 (E_RNA)
where:
Base-Base interactions energy: -138.159
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.602
local terms energy: -80.630621
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -194.897926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.897926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.897926 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.244
local terms energy: -72.636538
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -7.884
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: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -123.341299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.341299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.341299 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -36.141
Base-Backbone interact. energy: -0.096
local terms energy: -64.757928
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -111.821879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.821879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.821879 (E_RNA)
where:
Base-Base interactions energy: -50.889
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.170
local terms energy: -60.762858
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -6.760
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: 210
Temperature: 1.350000
Total energy: -97.661643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661643 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -35.268
Base-Backbone interact. energy: 0.521
local terms energy: -50.690287
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -7.324
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -304.776790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.776790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.776790 (E_RNA)
where:
Base-Base interactions energy: -219.269
where: short stacking energy: -80.056
Base-Backbone interact. energy: -0.211
local terms energy: -85.297204
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -288.740128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.740128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.740128 (E_RNA)
where:
Base-Base interactions energy: -193.257
where: short stacking energy: -84.245
Base-Backbone interact. energy: -0.030
local terms energy: -95.452901
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -26.849
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: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -290.892807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.892807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.892807 (E_RNA)
where:
Base-Base interactions energy: -203.142
where: short stacking energy: -90.792
Base-Backbone interact. energy: -0.002
local terms energy: -87.748790
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -275.712197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.712197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.712197 (E_RNA)
where:
Base-Base interactions energy: -181.981
where: short stacking energy: -75.593
Base-Backbone interact. energy: 0.006
local terms energy: -93.737789
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -214.373685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.373685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.373685 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.112
local terms energy: -84.038284
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -205.496058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.496058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.496058 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.287
local terms energy: -75.748980
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -179.969696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.969696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.969696 (E_RNA)
where:
Base-Base interactions energy: -108.909
where: short stacking energy: -44.435
Base-Backbone interact. energy: -0.431
local terms energy: -70.629546
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -103.990249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.990249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.990249 (E_RNA)
where:
Base-Base interactions energy: -46.274
where: short stacking energy: -27.471
Base-Backbone interact. energy: -0.278
local terms energy: -57.437857
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -98.824843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.824843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.824843 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -23.070
Base-Backbone interact. energy: -0.369
local terms energy: -48.717351
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: 3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -92.362998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.362998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.362998 (E_RNA)
where:
Base-Base interactions energy: -27.387
where: short stacking energy: -24.935
Base-Backbone interact. energy: -0.040
local terms energy: -64.936136
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -291.563147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.563147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.563147 (E_RNA)
where:
Base-Base interactions energy: -196.134
where: short stacking energy: -97.466
Base-Backbone interact. energy: -0.001
local terms energy: -95.427725
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -305.554274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.554274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.554274 (E_RNA)
where:
Base-Base interactions energy: -214.660
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.267
local terms energy: -90.627854
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -12.923
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: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -285.544817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.544817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.544817 (E_RNA)
where:
Base-Base interactions energy: -184.471
where: short stacking energy: -84.005
Base-Backbone interact. energy: -0.099
local terms energy: -100.974113
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -16.709
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: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -272.026784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.026784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.026784 (E_RNA)
where:
Base-Base interactions energy: -184.190
where: short stacking energy: -78.196
Base-Backbone interact. energy: 1.423
local terms energy: -89.259047
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -235.448442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448442 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -72.160
Base-Backbone interact. energy: 0.492
local terms energy: -80.610535
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -8.019
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -215.509506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.509506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.509506 (E_RNA)
where:
Base-Base interactions energy: -140.802
where: short stacking energy: -61.209
Base-Backbone interact. energy: -1.406
local terms energy: -73.301548
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -11.671
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -208.011351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011351 (E_RNA)
where:
Base-Base interactions energy: -136.959
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.204
local terms energy: -70.848766
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -115.282431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.282431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.282431 (E_RNA)
where:
Base-Base interactions energy: -56.488
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.564
local terms energy: -58.230594
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -98.438116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.438116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.438116 (E_RNA)
where:
Base-Base interactions energy: -36.117
where: short stacking energy: -16.962
Base-Backbone interact. energy: -0.778
local terms energy: -61.543015
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: 5.740
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: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.509880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509880 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -18.458
Base-Backbone interact. energy: 0.994
local terms energy: -58.374133
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: 7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -296.717873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.717873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.717873 (E_RNA)
where:
Base-Base interactions energy: -198.251
where: short stacking energy: -94.477
Base-Backbone interact. energy: -0.237
local terms energy: -98.229786
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -31.625
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -299.547216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.547216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.547216 (E_RNA)
where:
Base-Base interactions energy: -218.688
where: short stacking energy: -81.660
Base-Backbone interact. energy: 1.941
local terms energy: -82.799556
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -281.015137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.015137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.015137 (E_RNA)
where:
Base-Base interactions energy: -182.369
where: short stacking energy: -85.032
Base-Backbone interact. energy: -0.010
local terms energy: -98.635659
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -27.745
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: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -272.341780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.341780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.341780 (E_RNA)
where:
Base-Base interactions energy: -180.668
where: short stacking energy: -84.587
Base-Backbone interact. energy: -0.988
local terms energy: -90.686143
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -10.282
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -236.323826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.323826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.323826 (E_RNA)
where:
Base-Base interactions energy: -159.822
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.333
local terms energy: -76.169149
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -212.608307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.608307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.608307 (E_RNA)
where:
Base-Base interactions energy: -135.578
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.124
local terms energy: -76.905768
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -199.924909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.924909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.924909 (E_RNA)
where:
Base-Base interactions energy: -130.768
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.022
local terms energy: -69.134491
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.383
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: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -97.230174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230174 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.381
local terms energy: -62.858272
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -3.878
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: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -112.347580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.347580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.347580 (E_RNA)
where:
Base-Base interactions energy: -58.256
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.436
local terms energy: -53.655342
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -95.306715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306715 (E_RNA)
where:
Base-Base interactions energy: -27.813
where: short stacking energy: -27.709
Base-Backbone interact. energy: -0.012
local terms energy: -67.481215
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -3.246
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: 214
Temperature: 0.900000
Total energy: -303.405850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.405850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.405850 (E_RNA)
where:
Base-Base interactions energy: -193.894
where: short stacking energy: -94.121
Base-Backbone interact. energy: -0.004
local terms energy: -109.507602
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -29.984
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: 214
Temperature: 0.950000
Total energy: -289.225498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.225498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.225498 (E_RNA)
where:
Base-Base interactions energy: -194.621
where: short stacking energy: -78.769
Base-Backbone interact. energy: -0.313
local terms energy: -94.292174
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -263.617476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.617476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.617476 (E_RNA)
where:
Base-Base interactions energy: -178.218
where: short stacking energy: -78.031
Base-Backbone interact. energy: -0.348
local terms energy: -85.052331
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.397
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: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -266.022585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.022585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.022585 (E_RNA)
where:
Base-Base interactions energy: -178.757
where: short stacking energy: -78.204
Base-Backbone interact. energy: 0.329
local terms energy: -87.594587
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -231.315637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.315637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.315637 (E_RNA)
where:
Base-Base interactions energy: -156.222
where: short stacking energy: -68.468
Base-Backbone interact. energy: -1.325
local terms energy: -73.769427
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -257.881927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.881927 (E_RNA)
where:
Base-Base interactions energy: -170.890
where: short stacking energy: -81.527
Base-Backbone interact. energy: -0.109
local terms energy: -86.882637
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -198.463901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.463901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.463901 (E_RNA)
where:
Base-Base interactions energy: -122.559
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.113
local terms energy: -75.791784
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -10.636
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -97.856596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.856596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.856596 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -34.553
Base-Backbone interact. energy: -0.210
local terms energy: -61.719018
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.915
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: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -117.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.627839 (E_RNA)
where:
Base-Base interactions energy: -54.674
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.974
local terms energy: -61.979936
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -2.410
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: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -92.860641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.860641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.860641 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.152
local terms energy: -51.878520
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -292.592446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.592446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.592446 (E_RNA)
where:
Base-Base interactions energy: -201.605
where: short stacking energy: -82.803
Base-Backbone interact. energy: -0.050
local terms energy: -90.937361
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -16.020
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: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -273.651979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.651979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.651979 (E_RNA)
where:
Base-Base interactions energy: -185.225
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.116
local terms energy: -88.310976
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -288.325107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.325107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.325107 (E_RNA)
where:
Base-Base interactions energy: -199.388
where: short stacking energy: -76.524
Base-Backbone interact. energy: -0.296
local terms energy: -88.640862
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -24.153
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -252.198212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.198212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.198212 (E_RNA)
where:
Base-Base interactions energy: -169.164
where: short stacking energy: -62.367
Base-Backbone interact. energy: -0.299
local terms energy: -82.735357
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -224.661795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.661795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.661795 (E_RNA)
where:
Base-Base interactions energy: -144.765
where: short stacking energy: -58.394
Base-Backbone interact. energy: -1.241
local terms energy: -78.655707
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -230.895236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.895236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.895236 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.113
local terms energy: -88.222766
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -21.569
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -209.492246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492246 (E_RNA)
where:
Base-Base interactions energy: -131.148
where: short stacking energy: -67.414
Base-Backbone interact. energy: -0.235
local terms energy: -78.109387
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -108.363144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.363144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.363144 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -27.810
Base-Backbone interact. energy: 0.381
local terms energy: -66.400350
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -148.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.484036 (E_RNA)
where:
Base-Base interactions energy: -82.943
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.061
local terms energy: -65.479298
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.031
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: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -95.584148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.584148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.584148 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.284
local terms energy: -53.131303
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -293.743168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.743168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.743168 (E_RNA)
where:
Base-Base interactions energy: -196.472
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.482
local terms energy: -96.788662
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -267.308983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.308983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.308983 (E_RNA)
where:
Base-Base interactions energy: -183.041
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.298
local terms energy: -83.970032
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.882
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: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -293.431714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.431714 (E_RNA)
where:
Base-Base interactions energy: -207.241
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.210
local terms energy: -85.980670
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -270.491030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.491030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.491030 (E_RNA)
where:
Base-Base interactions energy: -179.111
where: short stacking energy: -75.625
Base-Backbone interact. energy: -0.028
local terms energy: -91.352611
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -281.046208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.046208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.046208 (E_RNA)
where:
Base-Base interactions energy: -185.930
where: short stacking energy: -81.896
Base-Backbone interact. energy: -0.136
local terms energy: -94.980485
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -221.662637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.662637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.662637 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.234
local terms energy: -79.956346
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -196.722797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.722797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.722797 (E_RNA)
where:
Base-Base interactions energy: -121.354
where: short stacking energy: -53.818
Base-Backbone interact. energy: 1.109
local terms energy: -76.477817
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -104.317767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.317767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.317767 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.755
local terms energy: -56.491212
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: 3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -157.325751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.325751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.325751 (E_RNA)
where:
Base-Base interactions energy: -97.939
where: short stacking energy: -45.861
Base-Backbone interact. energy: -0.179
local terms energy: -59.208080
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -8.155
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: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -95.919541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919541 (E_RNA)
where:
Base-Base interactions energy: -33.031
where: short stacking energy: -30.341
Base-Backbone interact. energy: -0.240
local terms energy: -62.648293
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -284.603621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.603621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.603621 (E_RNA)
where:
Base-Base interactions energy: -189.434
where: short stacking energy: -90.272
Base-Backbone interact. energy: -0.182
local terms energy: -94.987650
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -23.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -292.818845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.818845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.818845 (E_RNA)
where:
Base-Base interactions energy: -207.075
where: short stacking energy: -78.555
Base-Backbone interact. energy: -0.332
local terms energy: -85.412191
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -262.759105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.759105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.759105 (E_RNA)
where:
Base-Base interactions energy: -174.724
where: short stacking energy: -76.943
Base-Backbone interact. energy: 0.474
local terms energy: -88.509383
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -9.660
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: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -287.274853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.274853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.274853 (E_RNA)
where:
Base-Base interactions energy: -192.128
where: short stacking energy: -88.785
Base-Backbone interact. energy: -0.086
local terms energy: -95.060828
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -30.231
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -235.166478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.166478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166478 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.371
local terms energy: -84.453274
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -232.328127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.328127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.328127 (E_RNA)
where:
Base-Base interactions energy: -151.692
where: short stacking energy: -63.880
Base-Backbone interact. energy: 0.257
local terms energy: -80.892797
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -195.416353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.416353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.416353 (E_RNA)
where:
Base-Base interactions energy: -119.029
where: short stacking energy: -53.351
Base-Backbone interact. energy: 0.538
local terms energy: -76.925151
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -184.632329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.632329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.632329 (E_RNA)
where:
Base-Base interactions energy: -114.989
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.299
local terms energy: -69.344606
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -8.882
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: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -119.767825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.767825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.767825 (E_RNA)
where:
Base-Base interactions energy: -64.494
where: short stacking energy: -27.403
Base-Backbone interact. energy: -0.194
local terms energy: -55.080262
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -98.282070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.282070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.282070 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.214
local terms energy: -56.238644
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -288.121091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.121091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.121091 (E_RNA)
where:
Base-Base interactions energy: -182.608
where: short stacking energy: -82.554
Base-Backbone interact. energy: -0.632
local terms energy: -104.881398
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -302.733351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.733351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.733351 (E_RNA)
where:
Base-Base interactions energy: -208.988
where: short stacking energy: -73.003
Base-Backbone interact. energy: 1.161
local terms energy: -94.906096
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -286.564412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.564412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.564412 (E_RNA)
where:
Base-Base interactions energy: -190.716
where: short stacking energy: -85.647
Base-Backbone interact. energy: -0.003
local terms energy: -95.845596
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -25.993
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: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -271.800708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.800708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.800708 (E_RNA)
where:
Base-Base interactions energy: -187.983
where: short stacking energy: -83.218
Base-Backbone interact. energy: -0.414
local terms energy: -83.403256
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -22.148
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: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -230.004068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.004068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.004068 (E_RNA)
where:
Base-Base interactions energy: -144.098
where: short stacking energy: -78.286
Base-Backbone interact. energy: -0.567
local terms energy: -85.339361
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -24.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -233.010288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010288 (E_RNA)
where:
Base-Base interactions energy: -154.577
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.451
local terms energy: -77.983041
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -156.977657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.977657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.977657 (E_RNA)
where:
Base-Base interactions energy: -93.579
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.341
local terms energy: -63.057026
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -12.338
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -203.017872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.017872 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.351
local terms energy: -75.015237
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -12.209
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -93.904752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.904752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.904752 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -23.488
Base-Backbone interact. energy: -0.210
local terms energy: -60.402097
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.135
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: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -98.762310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.762310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.762310 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -13.186
Base-Backbone interact. energy: 0.632
local terms energy: -49.586361
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: 5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -296.727109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.727109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.727109 (E_RNA)
where:
Base-Base interactions energy: -196.044
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.803
local terms energy: -99.880011
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -293.781314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.781314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.781314 (E_RNA)
where:
Base-Base interactions energy: -194.894
where: short stacking energy: -94.082
Base-Backbone interact. energy: -0.006
local terms energy: -98.881312
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -294.749480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.749480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.749480 (E_RNA)
where:
Base-Base interactions energy: -204.120
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.465
local terms energy: -90.164466
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -22.220
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: 219
Temperature: 1.050000
Total energy: -280.646020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.646020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.646020 (E_RNA)
where:
Base-Base interactions energy: -196.790
where: short stacking energy: -81.710
Base-Backbone interact. energy: 0.770
local terms energy: -84.626732
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -269.679974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.679974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.679974 (E_RNA)
where:
Base-Base interactions energy: -175.238
where: short stacking energy: -85.975
Base-Backbone interact. energy: -0.093
local terms energy: -94.348640
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -25.437
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: 219
Temperature: 1.150000
Total energy: -219.791219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.791219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.791219 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -56.081
Base-Backbone interact. energy: -1.878
local terms energy: -82.079254
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -105.525242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.525242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.525242 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -24.446
Base-Backbone interact. energy: -0.863
local terms energy: -69.001834
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -208.893429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.893429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.893429 (E_RNA)
where:
Base-Base interactions energy: -133.180
where: short stacking energy: -53.285
Base-Backbone interact. energy: -0.661
local terms energy: -75.052711
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -98.890145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.890145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.890145 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.097
local terms energy: -62.241695
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.140213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140213 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -27.891
Base-Backbone interact. energy: -0.217
local terms energy: -52.690428
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.555
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: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -299.621419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.621419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.621419 (E_RNA)
where:
Base-Base interactions energy: -199.560
where: short stacking energy: -85.988
Base-Backbone interact. energy: -0.314
local terms energy: -99.747284
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -24.360
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: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -287.927565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.927565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.927565 (E_RNA)
where:
Base-Base interactions energy: -189.784
where: short stacking energy: -88.811
Base-Backbone interact. energy: -0.009
local terms energy: -98.133708
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -29.896
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: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -275.705114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.705114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.705114 (E_RNA)
where:
Base-Base interactions energy: -188.046
where: short stacking energy: -83.136
Base-Backbone interact. energy: -0.652
local terms energy: -87.006941
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -293.768269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.768269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.768269 (E_RNA)
where:
Base-Base interactions energy: -208.383
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.262
local terms energy: -85.123675
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -13.423
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: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -235.468117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468117 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -74.723
Base-Backbone interact. energy: -1.574
local terms energy: -87.188976
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -220.173577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.173577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.173577 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -54.506
Base-Backbone interact. energy: -0.035
local terms energy: -80.316388
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -9.764
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -227.518625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.518625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.518625 (E_RNA)
where:
Base-Base interactions energy: -151.276
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.232
local terms energy: -76.010810
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -13.856
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: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -98.689291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689291 (E_RNA)
where:
Base-Base interactions energy: -40.657
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.450
local terms energy: -57.581570
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -104.294666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.294666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.294666 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.085
local terms energy: -64.700594
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -112.219718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.219718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.219718 (E_RNA)
where:
Base-Base interactions energy: -53.661
where: short stacking energy: -30.741
Base-Backbone interact. energy: -0.380
local terms energy: -58.179556
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -13.144
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -298.523463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.523463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.523463 (E_RNA)
where:
Base-Base interactions energy: -200.003
where: short stacking energy: -90.578
Base-Backbone interact. energy: -0.224
local terms energy: -98.296833
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -287.174165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.174165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.174165 (E_RNA)
where:
Base-Base interactions energy: -191.378
where: short stacking energy: -83.948
Base-Backbone interact. energy: -0.079
local terms energy: -95.716789
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -23.682
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: 221
Temperature: 1.000000
Total energy: -286.304652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.304652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.304652 (E_RNA)
where:
Base-Base interactions energy: -188.189
where: short stacking energy: -91.400
Base-Backbone interact. energy: 0.588
local terms energy: -98.703615
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -29.006
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: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -295.567306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.567306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.567306 (E_RNA)
where:
Base-Base interactions energy: -207.664
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.299
local terms energy: -87.604703
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -23.039
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -235.560449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.560449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.560449 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -73.173
Base-Backbone interact. energy: -0.174
local terms energy: -79.560454
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -20.205
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: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -241.035410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.035410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.035410 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -73.687
Base-Backbone interact. energy: 1.264
local terms energy: -90.225050
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -197.895353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895353 (E_RNA)
where:
Base-Base interactions energy: -124.868
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.103
local terms energy: -72.924534
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -9.611
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: 221
Temperature: 1.250000
Total energy: -100.255992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.255992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.255992 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -32.775
Base-Backbone interact. energy: -0.102
local terms energy: -57.667159
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -107.996175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.996175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.996175 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -28.536
Base-Backbone interact. energy: 0.203
local terms energy: -66.219238
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: 4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -103.813187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.813187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.813187 (E_RNA)
where:
Base-Base interactions energy: -44.682
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.335
local terms energy: -58.795530
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -3.893
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: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -282.104816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.104816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.104816 (E_RNA)
where:
Base-Base interactions energy: -191.255
where: short stacking energy: -81.047
Base-Backbone interact. energy: -0.237
local terms energy: -90.612466
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -23.361
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -20.576
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: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -291.117309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.117309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.117309 (E_RNA)
where:
Base-Base interactions energy: -200.328
where: short stacking energy: -93.813
Base-Backbone interact. energy: 0.853
local terms energy: -91.642538
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -14.183
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: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -286.855581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.855581 (E_RNA)
where:
Base-Base interactions energy: -201.789
where: short stacking energy: -79.774
Base-Backbone interact. energy: -0.236
local terms energy: -84.830340
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.194
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: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -285.408649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.408649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.408649 (E_RNA)
where:
Base-Base interactions energy: -193.173
where: short stacking energy: -88.463
Base-Backbone interact. energy: -0.060
local terms energy: -92.175399
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -22.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -234.512464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.512464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.512464 (E_RNA)
where:
Base-Base interactions energy: -153.375
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.487
local terms energy: -80.649940
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -209.902627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.902627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.902627 (E_RNA)
where:
Base-Base interactions energy: -138.021
where: short stacking energy: -54.982
Base-Backbone interact. energy: -1.544
local terms energy: -70.337833
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -102.308971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.308971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.308971 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -38.756
Base-Backbone interact. energy: 1.027
local terms energy: -64.580471
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -5.595
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: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -184.749199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.749199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.749199 (E_RNA)
where:
Base-Base interactions energy: -122.070
where: short stacking energy: -48.717
Base-Backbone interact. energy: 0.525
local terms energy: -63.204126
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -11.154
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -98.796214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.796214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.796214 (E_RNA)
where:
Base-Base interactions energy: -32.534
where: short stacking energy: -32.400
Base-Backbone interact. energy: -0.013
local terms energy: -66.249981
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -93.032996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032996 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.045
local terms energy: -57.948575
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -292.890599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.890599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.890599 (E_RNA)
where:
Base-Base interactions energy: -202.875
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.072
local terms energy: -89.943474
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.486
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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -292.518629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.518629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.518629 (E_RNA)
where:
Base-Base interactions energy: -201.333
where: short stacking energy: -74.856
Base-Backbone interact. energy: -0.603
local terms energy: -90.582751
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -19.419
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: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -282.874643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.874643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.874643 (E_RNA)
where:
Base-Base interactions energy: -193.321
where: short stacking energy: -85.827
Base-Backbone interact. energy: -0.003
local terms energy: -89.550553
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -281.918047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.918047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.918047 (E_RNA)
where:
Base-Base interactions energy: -182.495
where: short stacking energy: -91.579
Base-Backbone interact. energy: -0.043
local terms energy: -99.380133
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -13.733
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -238.858382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.858382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.858382 (E_RNA)
where:
Base-Base interactions energy: -149.181
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.099
local terms energy: -89.578598
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -230.226142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.226142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.226142 (E_RNA)
where:
Base-Base interactions energy: -149.362
where: short stacking energy: -67.305
Base-Backbone interact. energy: -0.182
local terms energy: -80.681924
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -117.169251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169251 (E_RNA)
where:
Base-Base interactions energy: -42.701
where: short stacking energy: -42.626
Base-Backbone interact. energy: 1.967
local terms energy: -76.435375
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -10.509
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: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -179.170331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.170331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.170331 (E_RNA)
where:
Base-Base interactions energy: -109.795
where: short stacking energy: -54.553
Base-Backbone interact. energy: -0.103
local terms energy: -69.272463
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -9.997
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -108.371423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.371423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.371423 (E_RNA)
where:
Base-Base interactions energy: -45.128
where: short stacking energy: -42.192
Base-Backbone interact. energy: -0.204
local terms energy: -63.038915
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -88.380437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.380437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.380437 (E_RNA)
where:
Base-Base interactions energy: -25.424
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.253
local terms energy: -62.703253
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: 2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -303.682483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.682483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.682483 (E_RNA)
where:
Base-Base interactions energy: -208.208
where: short stacking energy: -81.797
Base-Backbone interact. energy: -0.282
local terms energy: -95.191733
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -22.849
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: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -286.567419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.567419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.567419 (E_RNA)
where:
Base-Base interactions energy: -196.769
where: short stacking energy: -87.111
Base-Backbone interact. energy: -0.729
local terms energy: -89.069008
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -263.956209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.956209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.956209 (E_RNA)
where:
Base-Base interactions energy: -172.970
where: short stacking energy: -89.232
Base-Backbone interact. energy: -0.006
local terms energy: -90.980758
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -278.811082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.811082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.811082 (E_RNA)
where:
Base-Base interactions energy: -193.551
where: short stacking energy: -89.356
Base-Backbone interact. energy: -0.119
local terms energy: -85.140651
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -7.017
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: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -240.253772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.253772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.253772 (E_RNA)
where:
Base-Base interactions energy: -166.813
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.663
local terms energy: -72.777832
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -227.442927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.442927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.442927 (E_RNA)
where:
Base-Base interactions energy: -143.694
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.059
local terms energy: -83.690072
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -195.627807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.627807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.627807 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.399
local terms energy: -73.024103
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -109.879498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.879498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.879498 (E_RNA)
where:
Base-Base interactions energy: -42.458
where: short stacking energy: -40.752
Base-Backbone interact. energy: 0.842
local terms energy: -68.263782
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -103.762958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.762958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.762958 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.203
local terms energy: -60.805013
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -94.121909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.121909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.121909 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.307
local terms energy: -60.990909
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -302.958718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.958718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.958718 (E_RNA)
where:
Base-Base interactions energy: -207.387
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.699
local terms energy: -94.872585
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -23.614
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: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -285.608196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.608196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.608196 (E_RNA)
where:
Base-Base interactions energy: -195.971
where: short stacking energy: -85.611
Base-Backbone interact. energy: -1.045
local terms energy: -88.592182
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -237.647222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.647222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.647222 (E_RNA)
where:
Base-Base interactions energy: -151.387
where: short stacking energy: -69.526
Base-Backbone interact. energy: -0.417
local terms energy: -85.843191
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -292.828966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.828966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.828966 (E_RNA)
where:
Base-Base interactions energy: -186.837
where: short stacking energy: -89.967
Base-Backbone interact. energy: -0.182
local terms energy: -105.810077
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -29.912
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: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -245.394406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.394406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.394406 (E_RNA)
where:
Base-Base interactions energy: -155.443
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.222
local terms energy: -89.729173
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -219.832524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.832524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.832524 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -71.153
Base-Backbone interact. energy: 0.587
local terms energy: -78.417460
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -197.325833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.325833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.325833 (E_RNA)
where:
Base-Base interactions energy: -116.069
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.177
local terms energy: -81.079582
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -12.561
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: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -106.219156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.219156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.219156 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -25.931
Base-Backbone interact. energy: -0.291
local terms energy: -75.688867
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -2.676
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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -95.273816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.273816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.273816 (E_RNA)
where:
Base-Base interactions energy: -25.364
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.093
local terms energy: -69.815874
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -90.993770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993770 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.390
local terms energy: -61.438082
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -2.900
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -300.441228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.441228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.441228 (E_RNA)
where:
Base-Base interactions energy: -214.048
where: short stacking energy: -84.636
Base-Backbone interact. energy: 0.053
local terms energy: -86.446225
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -23.093
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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -267.800366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.800366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.800366 (E_RNA)
where:
Base-Base interactions energy: -179.255
where: short stacking energy: -77.474
Base-Backbone interact. energy: -0.203
local terms energy: -88.342484
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -294.724833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.724833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.724833 (E_RNA)
where:
Base-Base interactions energy: -191.935
where: short stacking energy: -94.954
Base-Backbone interact. energy: -0.124
local terms energy: -102.665502
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -31.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -231.126105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.126105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.126105 (E_RNA)
where:
Base-Base interactions energy: -150.220
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.635
local terms energy: -80.270896
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.878
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: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -248.100290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.100290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.100290 (E_RNA)
where:
Base-Base interactions energy: -160.084
where: short stacking energy: -81.273
Base-Backbone interact. energy: -0.152
local terms energy: -87.864764
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -26.001
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: 226
Temperature: 1.150000
Total energy: -215.636280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.636280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.636280 (E_RNA)
where:
Base-Base interactions energy: -132.981
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.076
local terms energy: -82.579006
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -20.867
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -204.601920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.601920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.601920 (E_RNA)
where:
Base-Base interactions energy: -132.290
where: short stacking energy: -55.860
Base-Backbone interact. energy: 2.473
local terms energy: -74.784532
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -107.170093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.170093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.170093 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.219
local terms energy: -62.594869
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -100.105560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105560 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.176
local terms energy: -59.824925
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -90.121845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121845 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.271
local terms energy: -55.247680
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: 0.217
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: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -299.526807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.526807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.526807 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -87.155
Base-Backbone interact. energy: -0.216
local terms energy: -91.669289
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -9.434
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: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -294.233408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.233408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.233408 (E_RNA)
where:
Base-Base interactions energy: -196.999
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.447
local terms energy: -96.786888
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -255.190166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.190166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.190166 (E_RNA)
where:
Base-Base interactions energy: -180.501
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.456
local terms energy: -74.232381
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -228.652877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.652877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.652877 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.117
local terms energy: -82.467698
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -15.254
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: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -243.120323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.120323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.120323 (E_RNA)
where:
Base-Base interactions energy: -165.456
where: short stacking energy: -77.199
Base-Backbone interact. energy: -0.207
local terms energy: -77.457146
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -202.465668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.465668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.465668 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.388
local terms energy: -76.254886
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -10.972
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: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -169.560319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.560319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.560319 (E_RNA)
where:
Base-Base interactions energy: -104.809
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.886
local terms energy: -63.865035
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -119.079750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.079750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.079750 (E_RNA)
where:
Base-Base interactions energy: -59.076
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.263
local terms energy: -59.740803
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: 3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -100.782228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.782228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.782228 (E_RNA)
where:
Base-Base interactions energy: -22.512
where: short stacking energy: -20.740
Base-Backbone interact. energy: -0.541
local terms energy: -77.728696
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -93.009720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009720 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -19.236
Base-Backbone interact. energy: -0.138
local terms energy: -66.553011
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -300.431061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.431061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.431061 (E_RNA)
where:
Base-Base interactions energy: -210.797
where: short stacking energy: -80.839
Base-Backbone interact. energy: 0.982
local terms energy: -90.616639
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -23.365
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: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -299.022856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.022856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.022856 (E_RNA)
where:
Base-Base interactions energy: -199.373
where: short stacking energy: -92.710
Base-Backbone interact. energy: -0.309
local terms energy: -99.340616
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -29.293
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: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -261.280747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.280747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.280747 (E_RNA)
where:
Base-Base interactions energy: -173.378
where: short stacking energy: -77.112
Base-Backbone interact. energy: -0.016
local terms energy: -87.887661
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -223.856296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.856296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.856296 (E_RNA)
where:
Base-Base interactions energy: -153.840
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.728
local terms energy: -69.288875
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -231.227216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.227216 (E_RNA)
where:
Base-Base interactions energy: -144.094
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.057
local terms energy: -87.076255
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -196.722431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.722431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.722431 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -52.626
Base-Backbone interact. energy: -0.270
local terms energy: -74.323278
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -108.561347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.561347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.561347 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.044
local terms energy: -64.336277
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -149.109997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.109997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.109997 (E_RNA)
where:
Base-Base interactions energy: -87.414
where: short stacking energy: -48.762
Base-Backbone interact. energy: -0.256
local terms energy: -61.439878
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -97.081540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081540 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -26.325
Base-Backbone interact. energy: -0.051
local terms energy: -61.886863
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -99.563021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.563021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.563021 (E_RNA)
where:
Base-Base interactions energy: -39.482
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.194
local terms energy: -59.887101
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -7.098
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -303.769725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.769725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.769725 (E_RNA)
where:
Base-Base interactions energy: -220.352
where: short stacking energy: -85.961
Base-Backbone interact. energy: -0.299
local terms energy: -83.117928
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -297.732071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.732071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.732071 (E_RNA)
where:
Base-Base interactions energy: -190.760
where: short stacking energy: -90.571
Base-Backbone interact. energy: -0.189
local terms energy: -106.782864
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -270.511241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.511241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.511241 (E_RNA)
where:
Base-Base interactions energy: -184.198
where: short stacking energy: -77.906
Base-Backbone interact. energy: -1.160
local terms energy: -85.152425
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -18.891
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -246.167331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.167331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.167331 (E_RNA)
where:
Base-Base interactions energy: -174.924
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.307
local terms energy: -70.936179
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -237.304853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.304853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.304853 (E_RNA)
where:
Base-Base interactions energy: -149.215
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.013
local terms energy: -88.076657
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -11.190
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: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -173.639445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639445 (E_RNA)
where:
Base-Base interactions energy: -103.896
where: short stacking energy: -43.881
Base-Backbone interact. energy: -0.795
local terms energy: -68.948566
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -104.280114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.280114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.280114 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.095
local terms energy: -68.332765
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -185.060663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.060663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.060663 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -51.940
Base-Backbone interact. energy: -1.172
local terms energy: -66.913768
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -97.526117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.526117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.526117 (E_RNA)
where:
Base-Base interactions energy: -41.967
where: short stacking energy: -38.333
Base-Backbone interact. energy: -0.160
local terms energy: -55.399278
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -0.772
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: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -90.471118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.471118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.471118 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -28.895
Base-Backbone interact. energy: 1.002
local terms energy: -56.742269
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: 0.194
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: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -301.872745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.872745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.872745 (E_RNA)
where:
Base-Base interactions energy: -196.728
where: short stacking energy: -97.640
Base-Backbone interact. energy: -0.058
local terms energy: -105.086828
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -31.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -297.214267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.214267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.214267 (E_RNA)
where:
Base-Base interactions energy: -211.663
where: short stacking energy: -82.725
Base-Backbone interact. energy: -0.239
local terms energy: -85.311786
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -7.763
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: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -249.264404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.264404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.264404 (E_RNA)
where:
Base-Base interactions energy: -168.268
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.234
local terms energy: -80.762584
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -15.064
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: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -277.055208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.055208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.055208 (E_RNA)
where:
Base-Base interactions energy: -180.509
where: short stacking energy: -87.213
Base-Backbone interact. energy: -1.186
local terms energy: -95.360490
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -25.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -240.445885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.445885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.445885 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.099
local terms energy: -90.805041
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -164.450726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.450726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.450726 (E_RNA)
where:
Base-Base interactions energy: -95.350
where: short stacking energy: -35.264
Base-Backbone interact. energy: 0.005
local terms energy: -69.106103
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.068
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: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -206.454624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.454624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.454624 (E_RNA)
where:
Base-Base interactions energy: -134.064
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.158
local terms energy: -72.232158
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -94.985637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.985637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.985637 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -33.179
Base-Backbone interact. energy: -0.105
local terms energy: -61.700832
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -89.926487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926487 (E_RNA)
where:
Base-Base interactions energy: -33.042
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.489
local terms energy: -56.395069
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -90.836983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.836983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.836983 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.098
local terms energy: -58.852918
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -300.929077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.929077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.929077 (E_RNA)
where:
Base-Base interactions energy: -201.605
where: short stacking energy: -92.339
Base-Backbone interact. energy: -2.929
local terms energy: -96.394836
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -30.044
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: 231
Temperature: 0.950000
Total energy: -301.308769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.308769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.308769 (E_RNA)
where:
Base-Base interactions energy: -208.396
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.290
local terms energy: -92.623482
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -269.667362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.667362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.667362 (E_RNA)
where:
Base-Base interactions energy: -178.026
where: short stacking energy: -67.967
Base-Backbone interact. energy: -0.388
local terms energy: -91.252637
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -12.977
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: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -274.366263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.366263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.366263 (E_RNA)
where:
Base-Base interactions energy: -187.761
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.079
local terms energy: -86.525759
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -21.547
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: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -255.743339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.743339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.743339 (E_RNA)
where:
Base-Base interactions energy: -172.302
where: short stacking energy: -84.544
Base-Backbone interact. energy: -0.042
local terms energy: -83.398833
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -205.966643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.966643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.966643 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -56.785
Base-Backbone interact. energy: 1.455
local terms energy: -76.628175
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -171.848834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.848834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.848834 (E_RNA)
where:
Base-Base interactions energy: -103.743
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.402
local terms energy: -67.702901
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -144.464384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.464384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.464384 (E_RNA)
where:
Base-Base interactions energy: -72.495
where: short stacking energy: -49.316
Base-Backbone interact. energy: 0.013
local terms energy: -71.981834
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -10.660
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -87.368238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.368238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.368238 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -23.211
Base-Backbone interact. energy: -0.613
local terms energy: -53.314222
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -94.163538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.163538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.163538 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.299
local terms energy: -52.749231
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -297.920465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.920465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.920465 (E_RNA)
where:
Base-Base interactions energy: -205.074
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.415
local terms energy: -92.431158
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -10.597
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: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -293.877071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.877071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.877071 (E_RNA)
where:
Base-Base interactions energy: -197.285
where: short stacking energy: -84.147
Base-Backbone interact. energy: -0.111
local terms energy: -96.481699
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -28.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -287.194485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.194485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.194485 (E_RNA)
where:
Base-Base interactions energy: -190.719
where: short stacking energy: -90.084
Base-Backbone interact. energy: -0.174
local terms energy: -96.301189
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -23.041
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -26.925
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: 232
Temperature: 1.050000
Total energy: -275.684816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.684816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.684816 (E_RNA)
where:
Base-Base interactions energy: -187.547
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.561
local terms energy: -87.576620
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -266.743476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.743476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.743476 (E_RNA)
where:
Base-Base interactions energy: -170.010
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.004
local terms energy: -96.729685
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -202.672721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.672721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.672721 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -52.263
Base-Backbone interact. energy: -0.239
local terms energy: -80.388960
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -10.984
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: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -137.243542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.243542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.243542 (E_RNA)
where:
Base-Base interactions energy: -78.597
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.465
local terms energy: -58.182244
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -166.414523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.414523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.414523 (E_RNA)
where:
Base-Base interactions energy: -92.527
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.318
local terms energy: -73.569190
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -110.078818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.078818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.078818 (E_RNA)
where:
Base-Base interactions energy: -52.531
where: short stacking energy: -37.808
Base-Backbone interact. energy: -0.058
local terms energy: -57.490237
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -98.199834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199834 (E_RNA)
where:
Base-Base interactions energy: -45.337
where: short stacking energy: -35.752
Base-Backbone interact. energy: -0.203
local terms energy: -52.660045
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -0.253
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: 233
Temperature: 0.900000
Total energy: -294.446691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.446691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.446691 (E_RNA)
where:
Base-Base interactions energy: -197.082
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.356
local terms energy: -97.008850
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -291.645553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.645553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.645553 (E_RNA)
where:
Base-Base interactions energy: -197.901
where: short stacking energy: -87.733
Base-Backbone interact. energy: -0.001
local terms energy: -93.743889
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -289.957320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.957320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.957320 (E_RNA)
where:
Base-Base interactions energy: -194.633
where: short stacking energy: -93.810
Base-Backbone interact. energy: -0.913
local terms energy: -94.411250
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -27.684
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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -276.088213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.088213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.088213 (E_RNA)
where:
Base-Base interactions energy: -182.587
where: short stacking energy: -81.233
Base-Backbone interact. energy: -0.150
local terms energy: -93.351297
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -211.965945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.965945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.965945 (E_RNA)
where:
Base-Base interactions energy: -126.465
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.007
local terms energy: -85.493937
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -13.963
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: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -226.634542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.634542 (E_RNA)
where:
Base-Base interactions energy: -146.778
where: short stacking energy: -70.239
Base-Backbone interact. energy: -0.967
local terms energy: -78.890416
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -144.843798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.843798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.843798 (E_RNA)
where:
Base-Base interactions energy: -88.746
where: short stacking energy: -40.761
Base-Backbone interact. energy: -1.111
local terms energy: -54.986125
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -6.027
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: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -174.894538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.894538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.894538 (E_RNA)
where:
Base-Base interactions energy: -107.132
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.517
local terms energy: -67.245193
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -102.565131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.565131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.565131 (E_RNA)
where:
Base-Base interactions energy: -53.342
where: short stacking energy: -44.407
Base-Backbone interact. energy: 0.156
local terms energy: -49.379345
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -92.066194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066194 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -29.651
Base-Backbone interact. energy: -1.073
local terms energy: -51.260187
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -6.783
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -299.150414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.150414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.150414 (E_RNA)
where:
Base-Base interactions energy: -209.207
where: short stacking energy: -84.149
Base-Backbone interact. energy: -0.297
local terms energy: -89.646233
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -10.414
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: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -308.471083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.471083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.471083 (E_RNA)
where:
Base-Base interactions energy: -215.670
where: short stacking energy: -84.563
Base-Backbone interact. energy: 0.914
local terms energy: -93.714499
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -293.302455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.302455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.302455 (E_RNA)
where:
Base-Base interactions energy: -195.193
where: short stacking energy: -95.290
Base-Backbone interact. energy: -2.107
local terms energy: -96.001845
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -31.059
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -274.663970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.663970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.663970 (E_RNA)
where:
Base-Base interactions energy: -188.699
where: short stacking energy: -79.199
Base-Backbone interact. energy: 1.602
local terms energy: -87.567393
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -237.931829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.931829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.931829 (E_RNA)
where:
Base-Base interactions energy: -157.951
where: short stacking energy: -72.263
Base-Backbone interact. energy: -0.996
local terms energy: -78.985452
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -217.104644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.104644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.104644 (E_RNA)
where:
Base-Base interactions energy: -140.693
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.468
local terms energy: -75.944181
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -180.660788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.660788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.660788 (E_RNA)
where:
Base-Base interactions energy: -114.736
where: short stacking energy: -50.402
Base-Backbone interact. energy: -0.777
local terms energy: -65.148254
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -9.216
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: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -145.987831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.987831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.987831 (E_RNA)
where:
Base-Base interactions energy: -86.969
where: short stacking energy: -41.850
Base-Backbone interact. energy: -0.276
local terms energy: -58.742594
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -102.092623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.092623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.092623 (E_RNA)
where:
Base-Base interactions energy: -37.934
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.166
local terms energy: -63.993117
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -105.664747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.664747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.664747 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -29.988
Base-Backbone interact. energy: -1.269
local terms energy: -60.168877
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -23.809
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 5.236
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -288.271752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.271752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.271752 (E_RNA)
where:
Base-Base interactions energy: -195.703
where: short stacking energy: -75.546
Base-Backbone interact. energy: -0.273
local terms energy: -92.295676
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -304.209942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.209942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.209942 (E_RNA)
where:
Base-Base interactions energy: -203.753
where: short stacking energy: -93.910
Base-Backbone interact. energy: 0.586
local terms energy: -101.042865
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -286.309975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.309975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.309975 (E_RNA)
where:
Base-Base interactions energy: -193.808
where: short stacking energy: -85.447
Base-Backbone interact. energy: -0.085
local terms energy: -92.416899
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -280.600807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.600807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.600807 (E_RNA)
where:
Base-Base interactions energy: -183.157
where: short stacking energy: -82.235
Base-Backbone interact. energy: -1.302
local terms energy: -96.141655
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -25.681
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -218.039657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.039657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.039657 (E_RNA)
where:
Base-Base interactions energy: -142.736
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.426
local terms energy: -74.877486
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.190
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: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -220.586310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.586310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.586310 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.169
local terms energy: -81.351028
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -209.968518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.968518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.968518 (E_RNA)
where:
Base-Base interactions energy: -135.116
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.340
local terms energy: -74.512503
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -106.608777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.608777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.608777 (E_RNA)
where:
Base-Base interactions energy: -48.024
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.343
local terms energy: -58.241177
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: 0.047
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -111.470622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.470622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.470622 (E_RNA)
where:
Base-Base interactions energy: -52.245
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.898
local terms energy: -58.328138
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.145
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: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -104.187313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.187313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.187313 (E_RNA)
where:
Base-Base interactions energy: -44.388
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.164
local terms energy: -59.635454
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -301.141105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.141105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.141105 (E_RNA)
where:
Base-Base interactions energy: -202.356
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.493
local terms energy: -98.291833
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -13.948
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: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -284.521155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.521155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.521155 (E_RNA)
where:
Base-Base interactions energy: -190.425
where: short stacking energy: -77.102
Base-Backbone interact. energy: -0.899
local terms energy: -93.197221
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -292.342842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.342842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.342842 (E_RNA)
where:
Base-Base interactions energy: -201.760
where: short stacking energy: -92.962
Base-Backbone interact. energy: -0.685
local terms energy: -89.897447
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -10.660
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: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -264.025559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.025559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.025559 (E_RNA)
where:
Base-Base interactions energy: -174.581
where: short stacking energy: -84.740
Base-Backbone interact. energy: -0.090
local terms energy: -89.354371
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -23.977
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: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -243.948566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.948566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.948566 (E_RNA)
where:
Base-Base interactions energy: -174.526
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.153
local terms energy: -69.269919
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -216.951004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.951004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.951004 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.338
local terms energy: -85.170904
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -221.283456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.283456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.283456 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.639
local terms energy: -73.984318
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -119.536305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.536305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.536305 (E_RNA)
where:
Base-Base interactions energy: -58.591
where: short stacking energy: -47.590
Base-Backbone interact. energy: -0.033
local terms energy: -60.912354
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -118.242950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.242950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.242950 (E_RNA)
where:
Base-Base interactions energy: -65.969
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.274
local terms energy: -52.000348
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -94.716465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.716465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.716465 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -38.494
Base-Backbone interact. energy: -0.215
local terms energy: -52.979287
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -3.045
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: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -301.752395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.752395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.752395 (E_RNA)
where:
Base-Base interactions energy: -198.538
where: short stacking energy: -95.927
Base-Backbone interact. energy: -0.228
local terms energy: -102.986846
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -30.159
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: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -290.808948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.808948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.808948 (E_RNA)
where:
Base-Base interactions energy: -198.523
where: short stacking energy: -83.359
Base-Backbone interact. energy: -0.178
local terms energy: -92.107912
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -278.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.861902 (E_RNA)
where:
Base-Base interactions energy: -177.035
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.256
local terms energy: -101.570146
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -16.344
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: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -270.614029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.614029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.614029 (E_RNA)
where:
Base-Base interactions energy: -186.826
where: short stacking energy: -81.071
Base-Backbone interact. energy: -0.729
local terms energy: -83.059310
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -10.069
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: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -242.666926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.666926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.666926 (E_RNA)
where:
Base-Base interactions energy: -173.288
where: short stacking energy: -50.879
Base-Backbone interact. energy: -0.510
local terms energy: -68.868290
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -233.118468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118468 (E_RNA)
where:
Base-Base interactions energy: -151.763
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.042
local terms energy: -81.313828
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -214.443671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.443671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.443671 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.805
local terms energy: -84.973338
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -107.519738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.519738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.519738 (E_RNA)
where:
Base-Base interactions energy: -42.177
where: short stacking energy: -37.156
Base-Backbone interact. energy: 0.294
local terms energy: -65.637039
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -107.289873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.289873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.289873 (E_RNA)
where:
Base-Base interactions energy: -47.922
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.171
local terms energy: -59.197494
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -93.737903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.737903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.737903 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -24.875
Base-Backbone interact. energy: 2.001
local terms energy: -69.401089
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -2.690
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: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -291.627866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.627866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.627866 (E_RNA)
where:
Base-Base interactions energy: -200.377
where: short stacking energy: -86.623
Base-Backbone interact. energy: -0.141
local terms energy: -91.109921
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -304.525471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.525471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.525471 (E_RNA)
where:
Base-Base interactions energy: -198.206
where: short stacking energy: -91.895
Base-Backbone interact. energy: 0.381
local terms energy: -106.699904
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -29.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -282.101848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.101848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.101848 (E_RNA)
where:
Base-Base interactions energy: -185.929
where: short stacking energy: -75.266
Base-Backbone interact. energy: -0.161
local terms energy: -96.011572
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -277.728360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.728360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.728360 (E_RNA)
where:
Base-Base interactions energy: -181.814
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.081
local terms energy: -95.832985
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -20.081
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -239.196988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.196988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.196988 (E_RNA)
where:
Base-Base interactions energy: -162.340
where: short stacking energy: -71.295
Base-Backbone interact. energy: -0.124
local terms energy: -76.732871
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -228.310375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.310375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.310375 (E_RNA)
where:
Base-Base interactions energy: -159.126
where: short stacking energy: -77.676
Base-Backbone interact. energy: -0.049
local terms energy: -69.135309
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -16.906
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: 238
Temperature: 1.200000
Total energy: -213.211678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.211678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.211678 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -65.555
Base-Backbone interact. energy: 0.318
local terms energy: -78.433247
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -19.877
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: 238
Temperature: 1.250000
Total energy: -104.455163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.455163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.455163 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.240
local terms energy: -60.443688
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.885
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: 238
Temperature: 1.300000
Total energy: -108.461065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.461065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.461065 (E_RNA)
where:
Base-Base interactions energy: -43.859
where: short stacking energy: -27.913
Base-Backbone interact. energy: 0.397
local terms energy: -64.998402
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -89.361165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.361165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.361165 (E_RNA)
where:
Base-Base interactions energy: -40.655
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.283
local terms energy: -48.423524
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: 6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -294.890145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.890145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.890145 (E_RNA)
where:
Base-Base interactions energy: -199.211
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.833
local terms energy: -94.846151
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -288.861106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.861106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.861106 (E_RNA)
where:
Base-Base interactions energy: -197.197
where: short stacking energy: -82.485
Base-Backbone interact. energy: -0.346
local terms energy: -91.317951
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -25.437
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: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -298.168835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.168835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.168835 (E_RNA)
where:
Base-Base interactions energy: -194.443
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.093
local terms energy: -103.632638
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -13.009
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -280.465700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.465700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.465700 (E_RNA)
where:
Base-Base interactions energy: -187.653
where: short stacking energy: -87.478
Base-Backbone interact. energy: -0.051
local terms energy: -92.761465
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -226.430284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.430284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.430284 (E_RNA)
where:
Base-Base interactions energy: -154.662
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.445
local terms energy: -71.323086
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -219.272047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.272047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.272047 (E_RNA)
where:
Base-Base interactions energy: -135.226
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.734
local terms energy: -83.311774
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -222.412950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.412950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.412950 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -64.577
Base-Backbone interact. energy: -1.972
local terms energy: -73.942932
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -99.817931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.817931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.817931 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -25.336
Base-Backbone interact. energy: 1.887
local terms energy: -58.925510
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -92.711280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.711280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.711280 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.547
local terms energy: -64.545456
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.323
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: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -97.256213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.256213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.256213 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -39.450
Base-Backbone interact. energy: -0.179
local terms energy: -52.518181
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -288.493152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.493152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.493152 (E_RNA)
where:
Base-Base interactions energy: -198.480
where: short stacking energy: -82.744
Base-Backbone interact. energy: -0.610
local terms energy: -89.402693
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -286.267300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.267300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.267300 (E_RNA)
where:
Base-Base interactions energy: -195.495
where: short stacking energy: -82.221
Base-Backbone interact. energy: 0.437
local terms energy: -91.209770
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -291.924265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.924265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.924265 (E_RNA)
where:
Base-Base interactions energy: -199.140
where: short stacking energy: -97.859
Base-Backbone interact. energy: -0.004
local terms energy: -92.779572
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -278.888586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.888586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.888586 (E_RNA)
where:
Base-Base interactions energy: -189.877
where: short stacking energy: -92.373
Base-Backbone interact. energy: -0.819
local terms energy: -88.192534
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -25.466
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: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -228.164379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.164379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.164379 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -62.743
Base-Backbone interact. energy: -0.109
local terms energy: -91.091205
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -209.087207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.087207 (E_RNA)
where:
Base-Base interactions energy: -131.763
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.084
local terms energy: -77.240683
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -200.275790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.275790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.275790 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.146
local terms energy: -73.303236
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -8.116
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -110.753459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.753459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.753459 (E_RNA)
where:
Base-Base interactions energy: -45.055
where: short stacking energy: -40.784
Base-Backbone interact. energy: 1.127
local terms energy: -66.825170
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -95.103785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.103785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.103785 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -22.242
Base-Backbone interact. energy: -0.331
local terms energy: -52.451055
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -133.902733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.902733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.902733 (E_RNA)
where:
Base-Base interactions energy: -84.854
where: short stacking energy: -36.956
Base-Backbone interact. energy: -1.025
local terms energy: -48.023342
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -292.868669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.868669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.868669 (E_RNA)
where:
Base-Base interactions energy: -204.836
where: short stacking energy: -85.351
Base-Backbone interact. energy: 0.070
local terms energy: -88.102740
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -23.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -288.462705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.462705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.462705 (E_RNA)
where:
Base-Base interactions energy: -193.199
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.297
local terms energy: -94.966213
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -21.983
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: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -277.144349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.144349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.144349 (E_RNA)
where:
Base-Base interactions energy: -181.769
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.607
local terms energy: -94.768543
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -283.157766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.157766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.157766 (E_RNA)
where:
Base-Base interactions energy: -189.775
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.029
local terms energy: -93.353711
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -223.757359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.757359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.757359 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.093
local terms energy: -74.158298
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -13.246
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: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -212.748320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.748320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.748320 (E_RNA)
where:
Base-Base interactions energy: -135.862
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.026
local terms energy: -76.860305
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -205.212969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.212969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.212969 (E_RNA)
where:
Base-Base interactions energy: -131.074
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.233
local terms energy: -73.905830
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -103.918127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.918127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.918127 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -32.816
Base-Backbone interact. energy: 0.907
local terms energy: -72.008699
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -111.209043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.209043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.209043 (E_RNA)
where:
Base-Base interactions energy: -46.510
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.334
local terms energy: -64.365688
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -1.597
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: 241
Temperature: 1.350000
Total energy: -104.160477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.160477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.160477 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.503
local terms energy: -50.674828
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -304.561466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.561466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.561466 (E_RNA)
where:
Base-Base interactions energy: -201.289
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.176
local terms energy: -103.096154
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -283.815470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.815470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.815470 (E_RNA)
where:
Base-Base interactions energy: -195.843
where: short stacking energy: -80.047
Base-Backbone interact. energy: 0.394
local terms energy: -88.366707
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -11.314
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: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -290.324672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.324672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.324672 (E_RNA)
where:
Base-Base interactions energy: -196.890
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.108
local terms energy: -93.326426
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -29.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -286.244923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.244923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.244923 (E_RNA)
where:
Base-Base interactions energy: -186.668
where: short stacking energy: -92.291
Base-Backbone interact. energy: -0.411
local terms energy: -99.166342
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -224.288895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.288895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.288895 (E_RNA)
where:
Base-Base interactions energy: -144.131
where: short stacking energy: -53.824
Base-Backbone interact. energy: -0.281
local terms energy: -79.876556
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -218.303891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.303891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.303891 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.056
local terms energy: -79.036978
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -15.299
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: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -219.323982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.323982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.323982 (E_RNA)
where:
Base-Base interactions energy: -145.093
where: short stacking energy: -60.698
Base-Backbone interact. energy: 0.496
local terms energy: -74.727776
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -100.383114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.383114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.383114 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.593
local terms energy: -67.580241
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -10.724
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -97.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.155454 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -15.541
Base-Backbone interact. energy: -0.127
local terms energy: -66.260819
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -93.619724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.619724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.619724 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.285
local terms energy: -50.393313
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -298.076715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.076715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.076715 (E_RNA)
where:
Base-Base interactions energy: -199.357
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.247
local terms energy: -98.472573
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -25.115
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -292.109055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.109055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.109055 (E_RNA)
where:
Base-Base interactions energy: -195.536
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.079
local terms energy: -96.494445
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -271.525413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.525413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.525413 (E_RNA)
where:
Base-Base interactions energy: -180.252
where: short stacking energy: -76.100
Base-Backbone interact. energy: 0.199
local terms energy: -91.472143
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -281.505110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.505110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.505110 (E_RNA)
where:
Base-Base interactions energy: -187.887
where: short stacking energy: -85.728
Base-Backbone interact. energy: -1.092
local terms energy: -92.525355
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -23.493
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: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -239.501061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.501061 (E_RNA)
where:
Base-Base interactions energy: -158.577
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.065
local terms energy: -80.858784
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -228.498176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.498176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.498176 (E_RNA)
where:
Base-Base interactions energy: -141.692
where: short stacking energy: -54.698
Base-Backbone interact. energy: -1.165
local terms energy: -85.641877
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -13.391
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: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -202.968260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.968260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.968260 (E_RNA)
where:
Base-Base interactions energy: -136.412
where: short stacking energy: -56.153
Base-Backbone interact. energy: -0.480
local terms energy: -66.076074
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -10.780
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: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -102.424804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.424804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.424804 (E_RNA)
where:
Base-Base interactions energy: -45.470
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.090
local terms energy: -56.864955
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -1.734
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: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -107.268471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.268471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.268471 (E_RNA)
where:
Base-Base interactions energy: -48.754
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.159
local terms energy: -58.355254
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -97.849312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.849312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.849312 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.450
local terms energy: -61.822382
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -300.033992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.033992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.033992 (E_RNA)
where:
Base-Base interactions energy: -200.651
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.083
local terms energy: -99.300446
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -25.680
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -296.964042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.964042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.964042 (E_RNA)
where:
Base-Base interactions energy: -196.139
where: short stacking energy: -85.929
Base-Backbone interact. energy: -0.062
local terms energy: -100.762592
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -29.528
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -292.007036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.007036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.007036 (E_RNA)
where:
Base-Base interactions energy: -192.868
where: short stacking energy: -80.689
Base-Backbone interact. energy: -0.242
local terms energy: -98.896854
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -274.291449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.291449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.291449 (E_RNA)
where:
Base-Base interactions energy: -185.649
where: short stacking energy: -71.278
Base-Backbone interact. energy: 0.430
local terms energy: -89.071978
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -245.889332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.889332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.889332 (E_RNA)
where:
Base-Base interactions energy: -163.480
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.074
local terms energy: -82.335244
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -213.619828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.619828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.619828 (E_RNA)
where:
Base-Base interactions energy: -133.882
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.482
local terms energy: -79.255715
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -197.545860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.545860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.545860 (E_RNA)
where:
Base-Base interactions energy: -117.761
where: short stacking energy: -49.426
Base-Backbone interact. energy: -0.021
local terms energy: -79.763627
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -154.583620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.583620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.583620 (E_RNA)
where:
Base-Base interactions energy: -84.740
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.214
local terms energy: -69.629456
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -101.220043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.220043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.220043 (E_RNA)
where:
Base-Base interactions energy: -48.457
where: short stacking energy: -43.684
Base-Backbone interact. energy: -0.151
local terms energy: -52.611802
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -4.947
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -91.386063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.386063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.386063 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.223
local terms energy: -59.303902
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -3.539
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -295.236597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.236597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.236597 (E_RNA)
where:
Base-Base interactions energy: -194.599
where: short stacking energy: -81.643
Base-Backbone interact. energy: -0.102
local terms energy: -100.535446
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -303.406612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.406612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.406612 (E_RNA)
where:
Base-Base interactions energy: -199.812
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.824
local terms energy: -102.771310
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -29.137
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: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -287.929226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.929226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.929226 (E_RNA)
where:
Base-Base interactions energy: -199.766
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.267
local terms energy: -87.895956
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -279.222160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.222160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.222160 (E_RNA)
where:
Base-Base interactions energy: -185.074
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.660
local terms energy: -93.487540
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -253.039439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.039439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.039439 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.031
local terms energy: -92.369522
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -190.923760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.923760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.923760 (E_RNA)
where:
Base-Base interactions energy: -111.803
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.054
local terms energy: -79.066974
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -9.817
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: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -198.001210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.001210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.001210 (E_RNA)
where:
Base-Base interactions energy: -122.658
where: short stacking energy: -49.667
Base-Backbone interact. energy: -0.264
local terms energy: -75.078731
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -11.044
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: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -192.422947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.422947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.422947 (E_RNA)
where:
Base-Base interactions energy: -118.597
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.140
local terms energy: -73.686520
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -14.972
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -91.721634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721634 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -34.013
Base-Backbone interact. energy: -0.222
local terms energy: -57.485965
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -9.071
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: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -90.057185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057185 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.076
local terms energy: -50.413486
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -1.989
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: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -301.506379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.506379 (E_RNA)
where:
Base-Base interactions energy: -199.057
where: short stacking energy: -90.737
Base-Backbone interact. energy: -0.265
local terms energy: -102.184952
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -28.832
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: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -298.645880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.645880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.645880 (E_RNA)
where:
Base-Base interactions energy: -197.444
where: short stacking energy: -79.764
Base-Backbone interact. energy: 0.617
local terms energy: -101.818751
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -16.626
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: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -273.639574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.639574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.639574 (E_RNA)
where:
Base-Base interactions energy: -188.888
where: short stacking energy: -80.041
Base-Backbone interact. energy: 0.022
local terms energy: -84.773495
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -8.866
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: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -260.321396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.321396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.321396 (E_RNA)
where:
Base-Base interactions energy: -173.663
where: short stacking energy: -81.825
Base-Backbone interact. energy: -0.889
local terms energy: -85.769802
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -227.216633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.216633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.216633 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.081
local terms energy: -76.083900
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.689
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: 246
Temperature: 1.150000
Total energy: -220.084171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.084171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.084171 (E_RNA)
where:
Base-Base interactions energy: -141.588
where: short stacking energy: -71.430
Base-Backbone interact. energy: -1.256
local terms energy: -77.239922
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -215.132494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.132494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.132494 (E_RNA)
where:
Base-Base interactions energy: -142.939
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.233
local terms energy: -71.960165
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -205.520288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.520288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.520288 (E_RNA)
where:
Base-Base interactions energy: -126.724
where: short stacking energy: -47.471
Base-Backbone interact. energy: -1.204
local terms energy: -77.592669
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -115.691916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.691916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.691916 (E_RNA)
where:
Base-Base interactions energy: -52.649
where: short stacking energy: -38.584
Base-Backbone interact. energy: -0.329
local terms energy: -62.713087
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -87.359109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.359109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.359109 (E_RNA)
where:
Base-Base interactions energy: -30.614
where: short stacking energy: -16.576
Base-Backbone interact. energy: 1.306
local terms energy: -58.050482
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -297.279311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.279311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.279311 (E_RNA)
where:
Base-Base interactions energy: -199.307
where: short stacking energy: -92.644
Base-Backbone interact. energy: -0.015
local terms energy: -97.957639
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -28.475
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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -283.243239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.243239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.243239 (E_RNA)
where:
Base-Base interactions energy: -188.098
where: short stacking energy: -84.868
Base-Backbone interact. energy: 0.641
local terms energy: -95.786555
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -281.520946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.520946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.520946 (E_RNA)
where:
Base-Base interactions energy: -196.236
where: short stacking energy: -72.997
Base-Backbone interact. energy: -1.731
local terms energy: -83.554636
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -254.359988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.359988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.359988 (E_RNA)
where:
Base-Base interactions energy: -166.050
where: short stacking energy: -65.650
Base-Backbone interact. energy: -1.122
local terms energy: -87.187932
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -14.022
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -240.679555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.679555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.679555 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.049
local terms energy: -87.035886
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -223.734793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.734793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.734793 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -54.997
Base-Backbone interact. energy: -1.067
local terms energy: -76.643844
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -212.669569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.669569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.669569 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.331
local terms energy: -73.797355
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -145.727872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.727872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.727872 (E_RNA)
where:
Base-Base interactions energy: -80.834
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.304
local terms energy: -64.589822
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -103.508664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.508664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.508664 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.135
local terms energy: -71.314374
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -93.814704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.814704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.814704 (E_RNA)
where:
Base-Base interactions energy: -35.625
where: short stacking energy: -28.851
Base-Backbone interact. energy: -1.573
local terms energy: -56.616075
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: 4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -301.993719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.993719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.993719 (E_RNA)
where:
Base-Base interactions energy: -197.838
where: short stacking energy: -95.045
Base-Backbone interact. energy: -0.008
local terms energy: -104.147376
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -30.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -289.200920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.200920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.200920 (E_RNA)
where:
Base-Base interactions energy: -196.063
where: short stacking energy: -86.306
Base-Backbone interact. energy: -0.136
local terms energy: -93.002631
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -254.921813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.921813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.921813 (E_RNA)
where:
Base-Base interactions energy: -172.752
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.867
local terms energy: -81.302802
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -264.221913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.221913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.221913 (E_RNA)
where:
Base-Base interactions energy: -172.923
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.066
local terms energy: -91.233069
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -10.964
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -234.946559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.946559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.946559 (E_RNA)
where:
Base-Base interactions energy: -165.105
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.161
local terms energy: -69.680448
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.185
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: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -237.935387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.935387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.935387 (E_RNA)
where:
Base-Base interactions energy: -166.565
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.069
local terms energy: -71.301065
where:
bonds (distance) C4'-P energy: -7.034
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -213.867975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.867975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.867975 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -50.776
Base-Backbone interact. energy: -0.258
local terms energy: -76.272671
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -132.922496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.922496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.922496 (E_RNA)
where:
Base-Base interactions energy: -67.615
where: short stacking energy: -29.912
Base-Backbone interact. energy: -0.999
local terms energy: -64.308671
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -106.602435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.602435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.602435 (E_RNA)
where:
Base-Base interactions energy: -48.882
where: short stacking energy: -37.352
Base-Backbone interact. energy: 1.312
local terms energy: -59.032428
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -10.300
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: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -108.552476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.552476 (E_RNA)
where:
Base-Base interactions energy: -63.984
where: short stacking energy: -29.321
Base-Backbone interact. energy: -0.046
local terms energy: -44.522617
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: 1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -304.321747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.321747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.321747 (E_RNA)
where:
Base-Base interactions energy: -201.536
where: short stacking energy: -100.600
Base-Backbone interact. energy: -0.001
local terms energy: -102.785052
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -30.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -272.688185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.688185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.688185 (E_RNA)
where:
Base-Base interactions energy: -185.208
where: short stacking energy: -83.378
Base-Backbone interact. energy: 1.392
local terms energy: -88.871773
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -26.519
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: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -288.376282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.376282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.376282 (E_RNA)
where:
Base-Base interactions energy: -198.525
where: short stacking energy: -86.699
Base-Backbone interact. energy: 0.149
local terms energy: -89.999590
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -23.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -278.243716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.243716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.243716 (E_RNA)
where:
Base-Base interactions energy: -185.458
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.091
local terms energy: -92.695302
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -251.876168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.876168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.876168 (E_RNA)
where:
Base-Base interactions energy: -165.576
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.025
local terms energy: -86.275607
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -10.698
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: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -229.970691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.970691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.970691 (E_RNA)
where:
Base-Base interactions energy: -152.695
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.543
local terms energy: -76.731824
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -196.164341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.164341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.164341 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.167
local terms energy: -64.051282
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -141.574060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.574060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.574060 (E_RNA)
where:
Base-Base interactions energy: -80.565
where: short stacking energy: -34.602
Base-Backbone interact. energy: -0.256
local terms energy: -60.753051
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -2.690
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: 249
Temperature: 1.300000
Total energy: -91.907423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907423 (E_RNA)
where:
Base-Base interactions energy: -37.929
where: short stacking energy: -31.342
Base-Backbone interact. energy: 1.921
local terms energy: -55.899785
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -1.908
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: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -107.493896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.493896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.493896 (E_RNA)
where:
Base-Base interactions energy: -60.405
where: short stacking energy: -21.169
Base-Backbone interact. energy: -0.618
local terms energy: -46.471020
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: 6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -292.028276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.028276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.028276 (E_RNA)
where:
Base-Base interactions energy: -202.124
where: short stacking energy: -87.947
Base-Backbone interact. energy: -0.084
local terms energy: -89.820583
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -302.360174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.360174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.360174 (E_RNA)
where:
Base-Base interactions energy: -201.423
where: short stacking energy: -94.127
Base-Backbone interact. energy: -0.100
local terms energy: -100.836839
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -30.578
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: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -296.638756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.638756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.638756 (E_RNA)
where:
Base-Base interactions energy: -209.749
where: short stacking energy: -85.868
Base-Backbone interact. energy: -0.001
local terms energy: -86.889389
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -24.485
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: 250
Temperature: 1.050000
Total energy: -281.684229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.684229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.684229 (E_RNA)
where:
Base-Base interactions energy: -193.617
where: short stacking energy: -84.277
Base-Backbone interact. energy: -0.160
local terms energy: -87.907262
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -250.869912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.869912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.869912 (E_RNA)
where:
Base-Base interactions energy: -166.858
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.341
local terms energy: -83.670359
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -218.011791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011791 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.669
local terms energy: -77.327805
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.408
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: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -206.248195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.248195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248195 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.198
local terms energy: -80.916844
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -91.781246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.781246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.781246 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.257
local terms energy: -51.936516
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: 7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -107.230844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.230844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.230844 (E_RNA)
where:
Base-Base interactions energy: -46.802
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.567
local terms energy: -59.861806
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -91.219715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.219715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.219715 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.290
local terms energy: -57.635007
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -295.637665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.637665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.637665 (E_RNA)
where:
Base-Base interactions energy: -198.930
where: short stacking energy: -85.790
Base-Backbone interact. energy: -0.225
local terms energy: -96.483036
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -285.639526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.639526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.639526 (E_RNA)
where:
Base-Base interactions energy: -188.675
where: short stacking energy: -85.149
Base-Backbone interact. energy: -0.883
local terms energy: -96.080969
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -30.504
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: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -293.873012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.873012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.873012 (E_RNA)
where:
Base-Base interactions energy: -197.553
where: short stacking energy: -87.481
Base-Backbone interact. energy: -0.009
local terms energy: -96.310729
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -244.944805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.944805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.944805 (E_RNA)
where:
Base-Base interactions energy: -171.296
where: short stacking energy: -70.400
Base-Backbone interact. energy: 2.363
local terms energy: -76.012315
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -261.248695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.248695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.248695 (E_RNA)
where:
Base-Base interactions energy: -172.139
where: short stacking energy: -71.841
Base-Backbone interact. energy: -0.042
local terms energy: -89.066735
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -224.878534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.878534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.878534 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -73.068
Base-Backbone interact. energy: -0.006
local terms energy: -77.390832
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -193.805465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.805465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.805465 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -52.562
Base-Backbone interact. energy: -1.295
local terms energy: -70.134815
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -9.488
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: 251
Temperature: 1.250000
Total energy: -112.128152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.128152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.128152 (E_RNA)
where:
Base-Base interactions energy: -47.350
where: short stacking energy: -41.565
Base-Backbone interact. energy: 1.470
local terms energy: -66.248512
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -7.467
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -98.711826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.711826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.711826 (E_RNA)
where:
Base-Base interactions energy: -32.580
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.507
local terms energy: -65.624412
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -98.645691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.645691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.645691 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -33.531
Base-Backbone interact. energy: -1.581
local terms energy: -53.443280
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -290.051965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.051965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.051965 (E_RNA)
where:
Base-Base interactions energy: -190.113
where: short stacking energy: -86.832
Base-Backbone interact. energy: -0.008
local terms energy: -99.930353
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -14.806
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: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -292.738469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.738469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.738469 (E_RNA)
where:
Base-Base interactions energy: -199.857
where: short stacking energy: -84.020
Base-Backbone interact. energy: -0.058
local terms energy: -92.823837
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -24.825
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: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -296.046227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.046227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.046227 (E_RNA)
where:
Base-Base interactions energy: -197.124
where: short stacking energy: -97.065
Base-Backbone interact. energy: -0.592
local terms energy: -98.330535
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -28.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -252.607805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.607805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.607805 (E_RNA)
where:
Base-Base interactions energy: -172.972
where: short stacking energy: -78.753
Base-Backbone interact. energy: -0.214
local terms energy: -79.421438
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -9.080
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: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -234.017107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.017107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.017107 (E_RNA)
where:
Base-Base interactions energy: -152.132
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.144
local terms energy: -81.740899
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -239.694589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.694589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.694589 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.662
local terms energy: -76.633210
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -12.100
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -198.623918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.623918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.623918 (E_RNA)
where:
Base-Base interactions energy: -127.315
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.395
local terms energy: -70.914380
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -104.089196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.089196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.089196 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.201
local terms energy: -62.918035
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -6.810
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: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -108.428195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.428195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.428195 (E_RNA)
where:
Base-Base interactions energy: -49.084
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.434
local terms energy: -58.910471
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -87.841908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841908 (E_RNA)
where:
Base-Base interactions energy: -31.691
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.177
local terms energy: -55.973452
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -304.408488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.408488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.408488 (E_RNA)
where:
Base-Base interactions energy: -211.086
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.290
local terms energy: -93.032017
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -28.302
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: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -296.442729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.442729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.442729 (E_RNA)
where:
Base-Base interactions energy: -198.399
where: short stacking energy: -88.537
Base-Backbone interact. energy: -0.012
local terms energy: -98.031010
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -275.039219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.039219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.039219 (E_RNA)
where:
Base-Base interactions energy: -180.880
where: short stacking energy: -83.638
Base-Backbone interact. energy: 0.957
local terms energy: -95.116375
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -244.761324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.761324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.761324 (E_RNA)
where:
Base-Base interactions energy: -166.838
where: short stacking energy: -77.010
Base-Backbone interact. energy: -0.749
local terms energy: -77.173762
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -19.210
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: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -241.004189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.004189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.004189 (E_RNA)
where:
Base-Base interactions energy: -154.443
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.036
local terms energy: -86.524407
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -10.441
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: 253
Temperature: 1.150000
Total energy: -221.417396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.417396 (E_RNA)
where:
Base-Base interactions energy: -144.355
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.156
local terms energy: -76.906112
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -246.241362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.241362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.241362 (E_RNA)
where:
Base-Base interactions energy: -172.571
where: short stacking energy: -67.090
Base-Backbone interact. energy: -0.130
local terms energy: -73.540605
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -120.359742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.359742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.359742 (E_RNA)
where:
Base-Base interactions energy: -48.389
where: short stacking energy: -33.845
Base-Backbone interact. energy: -0.939
local terms energy: -71.031623
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -113.553030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.553030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.553030 (E_RNA)
where:
Base-Base interactions energy: -54.330
where: short stacking energy: -24.820
Base-Backbone interact. energy: -0.649
local terms energy: -58.574419
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -114.297164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.297164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.297164 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -37.328
Base-Backbone interact. energy: 1.401
local terms energy: -62.791200
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -311.349769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.349769 (E_RNA)
where:
Base-Base interactions energy: -212.372
where: short stacking energy: -89.550
Base-Backbone interact. energy: -0.005
local terms energy: -98.973311
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -294.313565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.313565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.313565 (E_RNA)
where:
Base-Base interactions energy: -191.612
where: short stacking energy: -97.665
Base-Backbone interact. energy: -0.015
local terms energy: -102.686536
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -26.803
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: 254
Temperature: 1.000000
Total energy: -276.833860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.833860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.833860 (E_RNA)
where:
Base-Base interactions energy: -188.928
where: short stacking energy: -77.719
Base-Backbone interact. energy: 0.335
local terms energy: -88.241714
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -20.640
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -237.361411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.361411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.361411 (E_RNA)
where:
Base-Base interactions energy: -140.849
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.678
local terms energy: -95.834803
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -26.058
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -227.244592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.244592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.244592 (E_RNA)
where:
Base-Base interactions energy: -143.879
where: short stacking energy: -65.727
Base-Backbone interact. energy: -1.295
local terms energy: -82.071077
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -217.871275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.871275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.871275 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -50.884
Base-Backbone interact. energy: -0.953
local terms energy: -83.973062
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -13.841
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: 254
Temperature: 1.200000
Total energy: -244.085911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.085911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.085911 (E_RNA)
where:
Base-Base interactions energy: -169.781
where: short stacking energy: -71.160
Base-Backbone interact. energy: -0.121
local terms energy: -74.183896
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -146.518207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.518207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.518207 (E_RNA)
where:
Base-Base interactions energy: -80.814
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.149
local terms energy: -65.555788
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -98.670917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.670917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.670917 (E_RNA)
where:
Base-Base interactions energy: -50.971
where: short stacking energy: -33.888
Base-Backbone interact. energy: -0.265
local terms energy: -47.435064
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: 0.954
tors. eta vs tors. theta energy: -0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -91.305256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305256 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -13.337
Base-Backbone interact. energy: -0.566
local terms energy: -61.075018
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -313.320429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.320429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.320429 (E_RNA)
where:
Base-Base interactions energy: -209.877
where: short stacking energy: -93.650
Base-Backbone interact. energy: -0.002
local terms energy: -103.440992
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -279.185945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.185945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.185945 (E_RNA)
where:
Base-Base interactions energy: -180.998
where: short stacking energy: -82.196
Base-Backbone interact. energy: -2.679
local terms energy: -95.508825
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -26.816
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: 255
Temperature: 1.000000
Total energy: -293.469854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.469854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.469854 (E_RNA)
where:
Base-Base interactions energy: -198.714
where: short stacking energy: -86.968
Base-Backbone interact. energy: -0.052
local terms energy: -94.703181
where:
bonds (distance) C4'-P energy: -21.968
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -21.037
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -230.763317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.763317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.763317 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.199
local terms energy: -83.821782
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -17.330
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: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -221.640003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.640003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.640003 (E_RNA)
where:
Base-Base interactions energy: -155.155
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.209
local terms energy: -66.275662
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.647
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: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -214.685247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.685247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.685247 (E_RNA)
where:
Base-Base interactions energy: -136.980
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.258
local terms energy: -77.447254
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -237.774830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.774830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.774830 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.094
local terms energy: -70.973767
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -135.183720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.183720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.183720 (E_RNA)
where:
Base-Base interactions energy: -66.461
where: short stacking energy: -38.518
Base-Backbone interact. energy: -0.114
local terms energy: -68.608410
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -97.528302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.528302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.528302 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.018
local terms energy: -60.048060
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -115.411181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.411181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.411181 (E_RNA)
where:
Base-Base interactions energy: -62.876
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.589
local terms energy: -51.946108
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -4.122
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: 256
Temperature: 0.900000
Total energy: -304.918480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.918480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.918480 (E_RNA)
where:
Base-Base interactions energy: -205.614
where: short stacking energy: -90.628
Base-Backbone interact. energy: -0.015
local terms energy: -99.289750
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -289.415416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.415416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.415416 (E_RNA)
where:
Base-Base interactions energy: -182.589
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.020
local terms energy: -106.806696
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -280.638202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.638202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.638202 (E_RNA)
where:
Base-Base interactions energy: -185.299
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.644
local terms energy: -94.695136
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -232.191208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.191208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.191208 (E_RNA)
where:
Base-Base interactions energy: -144.792
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.108
local terms energy: -87.290817
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -203.934540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934540 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -60.344
Base-Backbone interact. energy: 0.014
local terms energy: -83.101355
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -233.836889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.836889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.836889 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.775
local terms energy: -82.870317
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -217.422025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422025 (E_RNA)
where:
Base-Base interactions energy: -129.886
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.025
local terms energy: -87.511524
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -119.048532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.048532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.048532 (E_RNA)
where:
Base-Base interactions energy: -65.085
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.091
local terms energy: -53.872307
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -111.519008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.519008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.519008 (E_RNA)
where:
Base-Base interactions energy: -50.569
where: short stacking energy: -26.120
Base-Backbone interact. energy: 0.180
local terms energy: -61.129314
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -88.916853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916853 (E_RNA)
where:
Base-Base interactions energy: -29.986
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.176
local terms energy: -58.755307
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -1.638
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: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -306.772076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.772076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.772076 (E_RNA)
where:
Base-Base interactions energy: -204.885
where: short stacking energy: -88.619
Base-Backbone interact. energy: -0.007
local terms energy: -101.879528
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -30.784
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: 257
Temperature: 0.950000
Total energy: -296.297708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.297708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.297708 (E_RNA)
where:
Base-Base interactions energy: -199.638
where: short stacking energy: -95.184
Base-Backbone interact. energy: 1.602
local terms energy: -98.261630
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -30.952
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: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -279.829691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.829691 (E_RNA)
where:
Base-Base interactions energy: -189.350
where: short stacking energy: -85.392
Base-Backbone interact. energy: -0.005
local terms energy: -90.474801
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -255.366884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.366884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.366884 (E_RNA)
where:
Base-Base interactions energy: -167.192
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.002
local terms energy: -88.173112
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -16.106
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: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -205.449803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.449803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.449803 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.040
local terms energy: -85.475955
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -242.872602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.872602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.872602 (E_RNA)
where:
Base-Base interactions energy: -158.459
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.400
local terms energy: -84.013745
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -207.308925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.308925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.308925 (E_RNA)
where:
Base-Base interactions energy: -131.997
where: short stacking energy: -69.292
Base-Backbone interact. energy: 0.328
local terms energy: -75.639209
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -17.946
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: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -119.632510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.632510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.632510 (E_RNA)
where:
Base-Base interactions energy: -60.863
where: short stacking energy: -31.316
Base-Backbone interact. energy: -0.131
local terms energy: -58.638417
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -139.545195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.545195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.545195 (E_RNA)
where:
Base-Base interactions energy: -81.663
where: short stacking energy: -53.663
Base-Backbone interact. energy: 1.372
local terms energy: -59.254667
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -97.766806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766806 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.423
local terms energy: -66.972121
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -303.828820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.828820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.828820 (E_RNA)
where:
Base-Base interactions energy: -195.741
where: short stacking energy: -92.559
Base-Backbone interact. energy: -0.096
local terms energy: -107.991811
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -17.276
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: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -305.701936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.701936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.701936 (E_RNA)
where:
Base-Base interactions energy: -210.424
where: short stacking energy: -91.512
Base-Backbone interact. energy: -0.004
local terms energy: -95.274501
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -27.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -273.303520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.303520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.303520 (E_RNA)
where:
Base-Base interactions energy: -187.486
where: short stacking energy: -83.133
Base-Backbone interact. energy: -0.077
local terms energy: -85.740264
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -20.212
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -269.259259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.259259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.259259 (E_RNA)
where:
Base-Base interactions energy: -187.353
where: short stacking energy: -72.059
Base-Backbone interact. energy: -0.162
local terms energy: -81.745025
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -238.308672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.308672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.308672 (E_RNA)
where:
Base-Base interactions energy: -151.815
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.811
local terms energy: -85.682049
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -11.413
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: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -223.762591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.762591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.762591 (E_RNA)
where:
Base-Base interactions energy: -150.730
where: short stacking energy: -57.991
Base-Backbone interact. energy: 0.580
local terms energy: -73.612666
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -205.549935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.549935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.549935 (E_RNA)
where:
Base-Base interactions energy: -131.176
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.120
local terms energy: -74.254544
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -8.902
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: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -103.342038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.342038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.342038 (E_RNA)
where:
Base-Base interactions energy: -49.216
where: short stacking energy: -36.768
Base-Backbone interact. energy: 0.277
local terms energy: -54.403219
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -1.031
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: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -99.697099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.697099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.697099 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -33.751
Base-Backbone interact. energy: -1.233
local terms energy: -56.342429
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -97.915751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.915751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.915751 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -30.321
Base-Backbone interact. energy: 1.809
local terms energy: -53.351121
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -306.260520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.260520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.260520 (E_RNA)
where:
Base-Base interactions energy: -207.380
where: short stacking energy: -94.204
Base-Backbone interact. energy: -0.954
local terms energy: -97.926355
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -288.402234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.402234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.402234 (E_RNA)
where:
Base-Base interactions energy: -184.976
where: short stacking energy: -85.466
Base-Backbone interact. energy: -0.009
local terms energy: -103.417457
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -279.404988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.404988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.404988 (E_RNA)
where:
Base-Base interactions energy: -181.949
where: short stacking energy: -75.690
Base-Backbone interact. energy: -0.095
local terms energy: -97.361321
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -280.326655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.326655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.326655 (E_RNA)
where:
Base-Base interactions energy: -183.026
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.101
local terms energy: -97.199316
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -26.048
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: 259
Temperature: 1.100000
Total energy: -247.583880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.583880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.583880 (E_RNA)
where:
Base-Base interactions energy: -158.790
where: short stacking energy: -70.082
Base-Backbone interact. energy: -0.835
local terms energy: -87.958947
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -198.291201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.291201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.291201 (E_RNA)
where:
Base-Base interactions energy: -117.299
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.118
local terms energy: -80.874425
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -9.373
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: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -206.003687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.003687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.003687 (E_RNA)
where:
Base-Base interactions energy: -136.198
where: short stacking energy: -54.683
Base-Backbone interact. energy: -1.357
local terms energy: -68.448827
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -104.613082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.613082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.613082 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -36.339
Base-Backbone interact. energy: 0.188
local terms energy: -67.857547
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -96.503605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.503605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.503605 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.068
local terms energy: -65.462563
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -108.043070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.043070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.043070 (E_RNA)
where:
Base-Base interactions energy: -48.339
where: short stacking energy: -33.334
Base-Backbone interact. energy: -0.061
local terms energy: -59.643457
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -305.182327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.182327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.182327 (E_RNA)
where:
Base-Base interactions energy: -207.105
where: short stacking energy: -93.363
Base-Backbone interact. energy: -0.003
local terms energy: -98.074482
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -26.607
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: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -290.860580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.860580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.860580 (E_RNA)
where:
Base-Base interactions energy: -198.656
where: short stacking energy: -86.080
Base-Backbone interact. energy: -0.637
local terms energy: -91.568386
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -284.208839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.208839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.208839 (E_RNA)
where:
Base-Base interactions energy: -188.913
where: short stacking energy: -90.997
Base-Backbone interact. energy: -0.192
local terms energy: -95.103309
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -27.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -279.216976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.216976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.216976 (E_RNA)
where:
Base-Base interactions energy: -198.520
where: short stacking energy: -84.345
Base-Backbone interact. energy: -0.039
local terms energy: -80.658454
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -6.731
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: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -254.623786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.623786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.623786 (E_RNA)
where:
Base-Base interactions energy: -177.210
where: short stacking energy: -76.589
Base-Backbone interact. energy: 0.085
local terms energy: -77.498634
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -19.498
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: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -228.259944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.259944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.259944 (E_RNA)
where:
Base-Base interactions energy: -156.966
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.129
local terms energy: -71.164481
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -204.160680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.160680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.160680 (E_RNA)
where:
Base-Base interactions energy: -125.382
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.097
local terms energy: -78.682186
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -10.632
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -110.593011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.593011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.593011 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.445
local terms energy: -66.422874
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.577
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: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -135.515095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.515095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.515095 (E_RNA)
where:
Base-Base interactions energy: -67.531
where: short stacking energy: -41.357
Base-Backbone interact. energy: -0.196
local terms energy: -67.788441
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -95.757201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757201 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -29.990
Base-Backbone interact. energy: -1.838
local terms energy: -55.915347
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -2.996
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: 261
Temperature: 0.900000
Total energy: -306.731112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.731112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.731112 (E_RNA)
where:
Base-Base interactions energy: -207.686
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.003
local terms energy: -99.041951
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -307.105153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.105153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.105153 (E_RNA)
where:
Base-Base interactions energy: -204.380
where: short stacking energy: -99.791
Base-Backbone interact. energy: -1.650
local terms energy: -101.074943
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -30.025
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: 261
Temperature: 1.000000
Total energy: -270.090844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.090844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.090844 (E_RNA)
where:
Base-Base interactions energy: -171.905
where: short stacking energy: -77.857
Base-Backbone interact. energy: -0.106
local terms energy: -98.079673
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -25.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -276.414558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.414558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.414558 (E_RNA)
where:
Base-Base interactions energy: -184.362
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.005
local terms energy: -92.047704
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -13.113
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: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -248.797615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.797615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.797615 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -73.454
Base-Backbone interact. energy: 0.765
local terms energy: -83.004970
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -204.410910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.410910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.410910 (E_RNA)
where:
Base-Base interactions energy: -126.869
where: short stacking energy: -54.997
Base-Backbone interact. energy: 0.806
local terms energy: -78.348213
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -241.080957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.080957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.080957 (E_RNA)
where:
Base-Base interactions energy: -172.075
where: short stacking energy: -55.779
Base-Backbone interact. energy: 0.982
local terms energy: -69.988172
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -10.893
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -96.369590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369590 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.272
local terms energy: -62.717946
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -5.540
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: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -96.614375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.614375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.614375 (E_RNA)
where:
Base-Base interactions energy: -28.383
where: short stacking energy: -17.501
Base-Backbone interact. energy: -0.247
local terms energy: -67.983776
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -85.456246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.456246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.456246 (E_RNA)
where:
Base-Base interactions energy: -18.903
where: short stacking energy: -14.548
Base-Backbone interact. energy: -0.099
local terms energy: -66.454963
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: 1.994
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: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -306.504397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.504397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.504397 (E_RNA)
where:
Base-Base interactions energy: -207.544
where: short stacking energy: -98.824
Base-Backbone interact. energy: -0.104
local terms energy: -98.855914
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -16.788
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: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -292.958394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.958394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.958394 (E_RNA)
where:
Base-Base interactions energy: -197.297
where: short stacking energy: -88.081
Base-Backbone interact. energy: -0.005
local terms energy: -95.656436
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -246.306093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.306093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.306093 (E_RNA)
where:
Base-Base interactions energy: -163.287
where: short stacking energy: -71.995
Base-Backbone interact. energy: -0.074
local terms energy: -82.944890
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -21.144
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: 262
Temperature: 1.050000
Total energy: -290.036551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.036551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.036551 (E_RNA)
where:
Base-Base interactions energy: -188.595
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.016
local terms energy: -101.426336
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -259.402907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.402907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.402907 (E_RNA)
where:
Base-Base interactions energy: -170.020
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.007
local terms energy: -89.376079
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -20.543
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: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -191.194773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.194773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.194773 (E_RNA)
where:
Base-Base interactions energy: -123.757
where: short stacking energy: -53.485
Base-Backbone interact. energy: 0.164
local terms energy: -67.601463
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.589
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: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -228.096187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.096187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.096187 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.109
local terms energy: -88.454504
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -124.082440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.082440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.082440 (E_RNA)
where:
Base-Base interactions energy: -59.808
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.192
local terms energy: -64.082577
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -96.839717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.839717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.839717 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -26.636
Base-Backbone interact. energy: -0.725
local terms energy: -60.263381
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.823
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: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -98.637986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.637986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.637986 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.030
local terms energy: -65.151511
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -5.059
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -299.831532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.831532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.831532 (E_RNA)
where:
Base-Base interactions energy: -197.709
where: short stacking energy: -101.829
Base-Backbone interact. energy: -0.482
local terms energy: -101.640575
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -16.569
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: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -290.816491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.816491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.816491 (E_RNA)
where:
Base-Base interactions energy: -190.847
where: short stacking energy: -88.682
Base-Backbone interact. energy: -0.119
local terms energy: -99.850529
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -257.347368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.347368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.347368 (E_RNA)
where:
Base-Base interactions energy: -170.275
where: short stacking energy: -77.539
Base-Backbone interact. energy: -1.069
local terms energy: -86.003008
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -20.696
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -287.189935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.189935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.189935 (E_RNA)
where:
Base-Base interactions energy: -188.613
where: short stacking energy: -94.663
Base-Backbone interact. energy: -0.015
local terms energy: -98.562541
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -264.171083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.171083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.171083 (E_RNA)
where:
Base-Base interactions energy: -182.031
where: short stacking energy: -81.349
Base-Backbone interact. energy: -0.146
local terms energy: -81.994435
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -217.696434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.696434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.696434 (E_RNA)
where:
Base-Base interactions energy: -140.443
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.061
local terms energy: -77.192489
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -206.578135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.578135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.578135 (E_RNA)
where:
Base-Base interactions energy: -122.101
where: short stacking energy: -48.211
Base-Backbone interact. energy: -1.134
local terms energy: -83.343157
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -102.776758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.776758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.776758 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -24.309
Base-Backbone interact. energy: -0.310
local terms energy: -58.112138
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -105.620323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.620323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.620323 (E_RNA)
where:
Base-Base interactions energy: -34.873
where: short stacking energy: -25.447
Base-Backbone interact. energy: 0.168
local terms energy: -70.915302
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -4.232
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: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -94.685738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.685738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.685738 (E_RNA)
where:
Base-Base interactions energy: -49.923
where: short stacking energy: -19.579
Base-Backbone interact. energy: 2.404
local terms energy: -47.167640
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.380
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: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -291.094934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.094934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.094934 (E_RNA)
where:
Base-Base interactions energy: -200.077
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.102
local terms energy: -90.915698
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -23.466
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: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -289.659798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.659798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.659798 (E_RNA)
where:
Base-Base interactions energy: -190.089
where: short stacking energy: -81.486
Base-Backbone interact. energy: -0.074
local terms energy: -99.497078
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -27.648
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -281.522534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.522534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.522534 (E_RNA)
where:
Base-Base interactions energy: -194.123
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.251
local terms energy: -87.148871
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -246.775343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.775343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.775343 (E_RNA)
where:
Base-Base interactions energy: -168.759
where: short stacking energy: -74.773
Base-Backbone interact. energy: -0.091
local terms energy: -77.925965
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -262.014885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.014885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.014885 (E_RNA)
where:
Base-Base interactions energy: -168.622
where: short stacking energy: -78.805
Base-Backbone interact. energy: -1.477
local terms energy: -91.915058
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -20.529
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -229.905837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.905837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.905837 (E_RNA)
where:
Base-Base interactions energy: -142.066
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.014
local terms energy: -87.825719
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.977
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: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -192.788151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788151 (E_RNA)
where:
Base-Base interactions energy: -125.883
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.149
local terms energy: -66.755741
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -109.600534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.600534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.600534 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -29.968
Base-Backbone interact. energy: -0.288
local terms energy: -64.592839
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -110.340037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.340037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.340037 (E_RNA)
where:
Base-Base interactions energy: -51.371
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.147
local terms energy: -58.821882
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -92.410248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.410248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.410248 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.043
local terms energy: -59.126500
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: 0.879
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -296.817109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.817109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.817109 (E_RNA)
where:
Base-Base interactions energy: -204.599
where: short stacking energy: -89.581
Base-Backbone interact. energy: -0.068
local terms energy: -92.150083
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -277.799594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.799594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.799594 (E_RNA)
where:
Base-Base interactions energy: -187.450
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.124
local terms energy: -90.225789
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.608
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: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -286.615054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.615054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.615054 (E_RNA)
where:
Base-Base interactions energy: -182.796
where: short stacking energy: -87.350
Base-Backbone interact. energy: -2.139
local terms energy: -101.680009
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -29.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -254.674574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.674574 (E_RNA)
where:
Base-Base interactions energy: -171.503
where: short stacking energy: -74.722
Base-Backbone interact. energy: -0.298
local terms energy: -82.873563
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -233.413536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.413536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.413536 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -49.166
Base-Backbone interact. energy: -0.183
local terms energy: -89.342437
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -240.495800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.495800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.495800 (E_RNA)
where:
Base-Base interactions energy: -164.779
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.157
local terms energy: -75.560421
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -16.689
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: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -213.235201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.235201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.235201 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.654
local terms energy: -66.625598
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -123.717811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.717811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.717811 (E_RNA)
where:
Base-Base interactions energy: -64.674
where: short stacking energy: -32.969
Base-Backbone interact. energy: -0.684
local terms energy: -58.359861
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -94.913488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.913488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.913488 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -30.438
Base-Backbone interact. energy: -1.115
local terms energy: -60.560176
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -98.146088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146088 (E_RNA)
where:
Base-Base interactions energy: -54.129
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.127
local terms energy: -43.890286
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -288.610429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.610429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.610429 (E_RNA)
where:
Base-Base interactions energy: -197.269
where: short stacking energy: -93.766
Base-Backbone interact. energy: -0.198
local terms energy: -91.143273
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -12.823
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -293.967100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.967100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.967100 (E_RNA)
where:
Base-Base interactions energy: -196.435
where: short stacking energy: -86.836
Base-Backbone interact. energy: -0.007
local terms energy: -97.525642
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -25.860
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: 266
Temperature: 1.000000
Total energy: -280.441819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.441819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.441819 (E_RNA)
where:
Base-Base interactions energy: -189.180
where: short stacking energy: -81.425
Base-Backbone interact. energy: -0.955
local terms energy: -90.307216
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -11.501
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: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -269.238363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.238363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.238363 (E_RNA)
where:
Base-Base interactions energy: -188.957
where: short stacking energy: -80.061
Base-Backbone interact. energy: -0.196
local terms energy: -80.085593
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -222.401065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401065 (E_RNA)
where:
Base-Base interactions energy: -150.762
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.014
local terms energy: -71.624907
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -226.181707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.181707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.181707 (E_RNA)
where:
Base-Base interactions energy: -138.081
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.499
local terms energy: -87.602126
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -221.366382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.366382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.366382 (E_RNA)
where:
Base-Base interactions energy: -152.109
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.083
local terms energy: -69.174659
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -13.775
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: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -137.984677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.984677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.984677 (E_RNA)
where:
Base-Base interactions energy: -87.928
where: short stacking energy: -30.333
Base-Backbone interact. energy: 0.021
local terms energy: -50.077824
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -0.198
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -107.070782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.070782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.070782 (E_RNA)
where:
Base-Base interactions energy: -40.227
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.281
local terms energy: -66.562703
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -102.542411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.542411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.542411 (E_RNA)
where:
Base-Base interactions energy: -52.465
where: short stacking energy: -26.947
Base-Backbone interact. energy: 1.885
local terms energy: -51.962830
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -2.224
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: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -291.311314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.311314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.311314 (E_RNA)
where:
Base-Base interactions energy: -195.766
where: short stacking energy: -84.243
Base-Backbone interact. energy: -0.590
local terms energy: -94.955392
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -289.918970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.918970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.918970 (E_RNA)
where:
Base-Base interactions energy: -191.969
where: short stacking energy: -87.311
Base-Backbone interact. energy: -0.180
local terms energy: -97.769742
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -15.886
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: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -283.865416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.865416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.865416 (E_RNA)
where:
Base-Base interactions energy: -182.376
where: short stacking energy: -90.124
Base-Backbone interact. energy: 0.012
local terms energy: -101.501420
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -27.346
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: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -236.901114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.901114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.901114 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -72.415
Base-Backbone interact. energy: -0.010
local terms energy: -88.088566
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -238.930522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.930522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.930522 (E_RNA)
where:
Base-Base interactions energy: -160.171
where: short stacking energy: -68.633
Base-Backbone interact. energy: 0.540
local terms energy: -79.298681
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -205.346523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346523 (E_RNA)
where:
Base-Base interactions energy: -140.083
where: short stacking energy: -49.772
Base-Backbone interact. energy: 0.370
local terms energy: -65.633407
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -213.112222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112222 (E_RNA)
where:
Base-Base interactions energy: -141.744
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.549
local terms energy: -70.819986
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -100.073819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.073819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.073819 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.180
local terms energy: -62.296522
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -98.932381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.932381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.932381 (E_RNA)
where:
Base-Base interactions energy: -34.061
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.324
local terms energy: -64.547662
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -12.269
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -91.958210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958210 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.191
local terms energy: -51.764336
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -2.657
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: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -296.570565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.570565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.570565 (E_RNA)
where:
Base-Base interactions energy: -191.518
where: short stacking energy: -86.147
Base-Backbone interact. energy: -3.982
local terms energy: -101.069997
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -28.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -295.773264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.773264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.773264 (E_RNA)
where:
Base-Base interactions energy: -204.980
where: short stacking energy: -95.370
Base-Backbone interact. energy: -0.016
local terms energy: -90.777380
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -16.498
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: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -245.776485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.776485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.776485 (E_RNA)
where:
Base-Base interactions energy: -153.693
where: short stacking energy: -72.350
Base-Backbone interact. energy: 1.616
local terms energy: -93.699449
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -276.183619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.183619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.183619 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.092
local terms energy: -92.724984
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.497
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: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -225.229060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.229060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229060 (E_RNA)
where:
Base-Base interactions energy: -147.323
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.041
local terms energy: -77.865714
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -233.682787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.682787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.682787 (E_RNA)
where:
Base-Base interactions energy: -162.994
where: short stacking energy: -56.726
Base-Backbone interact. energy: 0.111
local terms energy: -70.799765
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -230.793806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.793806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793806 (E_RNA)
where:
Base-Base interactions energy: -145.261
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.540
local terms energy: -84.992827
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -112.812474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.812474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.812474 (E_RNA)
where:
Base-Base interactions energy: -49.575
where: short stacking energy: -40.293
Base-Backbone interact. energy: 0.067
local terms energy: -63.303694
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -93.112930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.112930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.112930 (E_RNA)
where:
Base-Base interactions energy: -46.634
where: short stacking energy: -31.577
Base-Backbone interact. energy: 0.226
local terms energy: -46.704955
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -95.531768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.531768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.531768 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -23.148
Base-Backbone interact. energy: -0.261
local terms energy: -57.030740
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: 4.372
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: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -303.068059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.068059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.068059 (E_RNA)
where:
Base-Base interactions energy: -206.066
where: short stacking energy: -94.021
Base-Backbone interact. energy: -0.892
local terms energy: -96.110016
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -281.234537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.234537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.234537 (E_RNA)
where:
Base-Base interactions energy: -185.759
where: short stacking energy: -85.277
Base-Backbone interact. energy: -0.135
local terms energy: -95.340868
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -14.195
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: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -260.777838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.777838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.777838 (E_RNA)
where:
Base-Base interactions energy: -179.006
where: short stacking energy: -64.692
Base-Backbone interact. energy: 0.117
local terms energy: -81.888685
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -262.891907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.891907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.891907 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.031
local terms energy: -93.630812
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -12.552
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: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -227.299575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299575 (E_RNA)
where:
Base-Base interactions energy: -162.580
where: short stacking energy: -63.005
Base-Backbone interact. energy: 3.685
local terms energy: -68.405182
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -218.143175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.143175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.143175 (E_RNA)
where:
Base-Base interactions energy: -137.559
where: short stacking energy: -59.990
Base-Backbone interact. energy: 1.142
local terms energy: -81.726086
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -189.949722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949722 (E_RNA)
where:
Base-Base interactions energy: -123.461
where: short stacking energy: -47.996
Base-Backbone interact. energy: -0.226
local terms energy: -66.262943
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -123.633415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.633415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.633415 (E_RNA)
where:
Base-Base interactions energy: -62.829
where: short stacking energy: -40.487
Base-Backbone interact. energy: 0.317
local terms energy: -61.120641
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -96.144909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.144909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.144909 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -30.038
Base-Backbone interact. energy: 1.273
local terms energy: -66.950930
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -104.439498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.439498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.439498 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -19.233
Base-Backbone interact. energy: -0.365
local terms energy: -65.376271
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -307.272850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.272850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.272850 (E_RNA)
where:
Base-Base interactions energy: -209.666
where: short stacking energy: -95.065
Base-Backbone interact. energy: -0.048
local terms energy: -97.558942
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -13.339
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: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -294.324789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.324789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.324789 (E_RNA)
where:
Base-Base interactions energy: -200.201
where: short stacking energy: -90.106
Base-Backbone interact. energy: -0.017
local terms energy: -94.106294
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -13.151
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -258.964675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.964675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.964675 (E_RNA)
where:
Base-Base interactions energy: -182.266
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.287
local terms energy: -76.411389
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -263.231652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.231652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.231652 (E_RNA)
where:
Base-Base interactions energy: -172.508
where: short stacking energy: -78.802
Base-Backbone interact. energy: -0.008
local terms energy: -90.715591
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -26.019
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -223.452117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452117 (E_RNA)
where:
Base-Base interactions energy: -141.742
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.171
local terms energy: -81.539386
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -228.943921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.943921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.943921 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -77.445
Base-Backbone interact. energy: -0.018
local terms energy: -77.883114
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -173.358449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.358449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.358449 (E_RNA)
where:
Base-Base interactions energy: -105.816
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.145
local terms energy: -67.397517
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -103.163816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.163816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.163816 (E_RNA)
where:
Base-Base interactions energy: -43.728
where: short stacking energy: -41.680
Base-Backbone interact. energy: -0.403
local terms energy: -59.032361
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -96.326519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326519 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.331
local terms energy: -62.866892
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -100.426549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.426549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.426549 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -35.838
Base-Backbone interact. energy: -0.788
local terms energy: -61.421873
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -302.298296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.298296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.298296 (E_RNA)
where:
Base-Base interactions energy: -196.578
where: short stacking energy: -92.254
Base-Backbone interact. energy: -0.055
local terms energy: -105.665124
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -29.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -288.924317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.924317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.924317 (E_RNA)
where:
Base-Base interactions energy: -191.019
where: short stacking energy: -86.811
Base-Backbone interact. energy: -0.011
local terms energy: -97.893441
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -262.434720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.434720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.434720 (E_RNA)
where:
Base-Base interactions energy: -177.394
where: short stacking energy: -63.361
Base-Backbone interact. energy: 0.404
local terms energy: -85.444983
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -249.694179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.694179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.694179 (E_RNA)
where:
Base-Base interactions energy: -162.936
where: short stacking energy: -79.496
Base-Backbone interact. energy: -0.207
local terms energy: -86.551028
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -232.912982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.912982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.912982 (E_RNA)
where:
Base-Base interactions energy: -140.048
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.130
local terms energy: -92.734811
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -217.807416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.807416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.807416 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.075
local terms energy: -74.150249
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -164.078487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.078487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.078487 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -44.383
Base-Backbone interact. energy: -0.215
local terms energy: -56.052566
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -119.517487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.517487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.517487 (E_RNA)
where:
Base-Base interactions energy: -63.662
where: short stacking energy: -32.353
Base-Backbone interact. energy: -0.369
local terms energy: -55.487011
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: 2.267
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: 271
Temperature: 1.300000
Total energy: -109.458248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.458248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.458248 (E_RNA)
where:
Base-Base interactions energy: -47.571
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.297
local terms energy: -61.590436
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: 0.382
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: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -95.130134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130134 (E_RNA)
where:
Base-Base interactions energy: -48.274
where: short stacking energy: -32.422
Base-Backbone interact. energy: 0.435
local terms energy: -47.291610
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -2.879
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -298.129450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.129450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.129450 (E_RNA)
where:
Base-Base interactions energy: -194.666
where: short stacking energy: -91.758
Base-Backbone interact. energy: -0.105
local terms energy: -103.358656
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -25.981
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: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -291.691723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.691723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.691723 (E_RNA)
where:
Base-Base interactions energy: -196.026
where: short stacking energy: -87.681
Base-Backbone interact. energy: -0.046
local terms energy: -95.619670
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -262.747573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.747573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.747573 (E_RNA)
where:
Base-Base interactions energy: -171.724
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.618
local terms energy: -90.405871
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -261.385165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.385165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.385165 (E_RNA)
where:
Base-Base interactions energy: -181.989
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.155
local terms energy: -79.241027
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -237.222320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.222320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.222320 (E_RNA)
where:
Base-Base interactions energy: -155.270
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.314
local terms energy: -81.638267
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -217.146585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.146585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.146585 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -57.896
Base-Backbone interact. energy: -0.306
local terms energy: -77.916186
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -165.213316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.213316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.213316 (E_RNA)
where:
Base-Base interactions energy: -91.826
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.244
local terms energy: -73.142932
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -4.372
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: 272
Temperature: 1.250000
Total energy: -135.131994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.131994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.131994 (E_RNA)
where:
Base-Base interactions energy: -70.200
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.181
local terms energy: -64.750907
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -103.470026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.470026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.470026 (E_RNA)
where:
Base-Base interactions energy: -42.748
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.203
local terms energy: -60.518576
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -114.319993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.319993 (E_RNA)
where:
Base-Base interactions energy: -52.191
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.149
local terms energy: -61.980440
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -4.783
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: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -302.247211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.247211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.247211 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.536
local terms energy: -101.734117
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -29.800
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: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -291.896625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.896625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.896625 (E_RNA)
where:
Base-Base interactions energy: -190.515
where: short stacking energy: -83.289
Base-Backbone interact. energy: -0.453
local terms energy: -100.927759
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -264.793766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.793766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.793766 (E_RNA)
where:
Base-Base interactions energy: -174.762
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.060
local terms energy: -89.971538
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -225.516441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.516441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.516441 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.034
local terms energy: -86.167874
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -222.221812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.221812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.221812 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -64.362
Base-Backbone interact. energy: 0.483
local terms energy: -80.257142
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -215.319893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.319893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.319893 (E_RNA)
where:
Base-Base interactions energy: -131.054
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.405
local terms energy: -83.860722
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -202.567201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.567201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.567201 (E_RNA)
where:
Base-Base interactions energy: -127.913
where: short stacking energy: -45.864
Base-Backbone interact. energy: -0.030
local terms energy: -74.624122
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -136.380031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.380031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.380031 (E_RNA)
where:
Base-Base interactions energy: -76.755
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.188
local terms energy: -59.436720
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -92.281248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.281248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.281248 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -31.069
Base-Backbone interact. energy: -1.105
local terms energy: -59.782903
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -89.558511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.558511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.558511 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -20.743
Base-Backbone interact. energy: -1.025
local terms energy: -58.596770
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -293.758544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.758544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.758544 (E_RNA)
where:
Base-Base interactions energy: -196.694
where: short stacking energy: -84.419
Base-Backbone interact. energy: 1.857
local terms energy: -98.921985
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -15.095
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: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -295.858456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.858456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.858456 (E_RNA)
where:
Base-Base interactions energy: -194.615
where: short stacking energy: -96.600
Base-Backbone interact. energy: -0.879
local terms energy: -100.364136
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -252.182433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.182433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.182433 (E_RNA)
where:
Base-Base interactions energy: -163.028
where: short stacking energy: -76.961
Base-Backbone interact. energy: -0.400
local terms energy: -88.754607
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -9.309
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: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -239.447191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.447191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.447191 (E_RNA)
where:
Base-Base interactions energy: -157.979
where: short stacking energy: -68.659
Base-Backbone interact. energy: 0.655
local terms energy: -82.123411
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -223.155648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.155648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.155648 (E_RNA)
where:
Base-Base interactions energy: -158.679
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.015
local terms energy: -64.461091
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -218.662719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.662719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.662719 (E_RNA)
where:
Base-Base interactions energy: -133.657
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.355
local terms energy: -84.650352
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -16.835
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: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -193.800219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.800219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.800219 (E_RNA)
where:
Base-Base interactions energy: -120.274
where: short stacking energy: -55.804
Base-Backbone interact. energy: 0.792
local terms energy: -74.318224
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -138.597722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.597722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.597722 (E_RNA)
where:
Base-Base interactions energy: -72.413
where: short stacking energy: -41.816
Base-Backbone interact. energy: 0.749
local terms energy: -66.934295
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -91.378706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.378706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.378706 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -9.344
Base-Backbone interact. energy: 0.241
local terms energy: -55.696396
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: 2.177
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: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -97.542449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.542449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.542449 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.172
local terms energy: -56.643595
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -292.490316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.490316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.490316 (E_RNA)
where:
Base-Base interactions energy: -186.349
where: short stacking energy: -88.974
Base-Backbone interact. energy: -0.020
local terms energy: -106.120797
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -295.483741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.483741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.483741 (E_RNA)
where:
Base-Base interactions energy: -192.796
where: short stacking energy: -93.481
Base-Backbone interact. energy: -2.139
local terms energy: -100.548364
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -28.230
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: 275
Temperature: 1.000000
Total energy: -267.529971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.529971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.529971 (E_RNA)
where:
Base-Base interactions energy: -173.305
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.108
local terms energy: -94.116854
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -240.577470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.577470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.577470 (E_RNA)
where:
Base-Base interactions energy: -160.678
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.051
local terms energy: -79.848117
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -14.196
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: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -237.428606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.428606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.428606 (E_RNA)
where:
Base-Base interactions energy: -165.621
where: short stacking energy: -68.610
Base-Backbone interact. energy: 0.281
local terms energy: -72.088719
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.107
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: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -210.829290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.829290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.829290 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -67.637
Base-Backbone interact. energy: -0.211
local terms energy: -85.515595
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -233.079375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.079375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.079375 (E_RNA)
where:
Base-Base interactions energy: -146.284
where: short stacking energy: -70.977
Base-Backbone interact. energy: 1.939
local terms energy: -88.734407
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -13.281
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: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -123.044310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.044310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.044310 (E_RNA)
where:
Base-Base interactions energy: -66.442
where: short stacking energy: -40.957
Base-Backbone interact. energy: 0.320
local terms energy: -56.922688
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -98.870747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.870747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.870747 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.219
local terms energy: -68.503609
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -1.909
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: 275
Temperature: 1.350000
Total energy: -102.147433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147433 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -32.206
Base-Backbone interact. energy: -0.114
local terms energy: -65.875376
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -301.211058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.211058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.211058 (E_RNA)
where:
Base-Base interactions energy: -194.847
where: short stacking energy: -93.817
Base-Backbone interact. energy: -0.025
local terms energy: -106.339351
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -30.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -296.268721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.268721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.268721 (E_RNA)
where:
Base-Base interactions energy: -195.806
where: short stacking energy: -91.850
Base-Backbone interact. energy: -1.291
local terms energy: -99.171453
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -26.261
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -272.693352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.693352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.693352 (E_RNA)
where:
Base-Base interactions energy: -174.113
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.340
local terms energy: -98.241020
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -15.760
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -242.091097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.091097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.091097 (E_RNA)
where:
Base-Base interactions energy: -165.573
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.143
local terms energy: -76.374713
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -242.541881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.541881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.541881 (E_RNA)
where:
Base-Base interactions energy: -161.629
where: short stacking energy: -61.084
Base-Backbone interact. energy: -0.103
local terms energy: -80.809917
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -209.166519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166519 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -55.140
Base-Backbone interact. energy: 0.812
local terms energy: -86.644993
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -9.505
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: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -240.491501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.491501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.491501 (E_RNA)
where:
Base-Base interactions energy: -159.965
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.694
local terms energy: -79.832522
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -127.656634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.656634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.656634 (E_RNA)
where:
Base-Base interactions energy: -62.632
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.749
local terms energy: -64.274887
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -3.215
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: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -161.907339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.907339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.907339 (E_RNA)
where:
Base-Base interactions energy: -85.710
where: short stacking energy: -45.217
Base-Backbone interact. energy: -0.486
local terms energy: -75.711039
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -10.346
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: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -100.405330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.405330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.405330 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.315
local terms energy: -63.173023
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -300.794355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.794355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.794355 (E_RNA)
where:
Base-Base interactions energy: -201.805
where: short stacking energy: -92.729
Base-Backbone interact. energy: -0.003
local terms energy: -98.985892
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -28.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -294.378014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.378014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.378014 (E_RNA)
where:
Base-Base interactions energy: -193.544
where: short stacking energy: -87.498
Base-Backbone interact. energy: -0.385
local terms energy: -100.448762
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -28.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -272.186551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.186551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.186551 (E_RNA)
where:
Base-Base interactions energy: -181.566
where: short stacking energy: -86.353
Base-Backbone interact. energy: -0.113
local terms energy: -90.507670
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -23.456
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -236.305671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.305671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.305671 (E_RNA)
where:
Base-Base interactions energy: -155.080
where: short stacking energy: -58.611
Base-Backbone interact. energy: 1.403
local terms energy: -82.628696
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -230.499012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.499012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.499012 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.064
local terms energy: -89.411636
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -248.767691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.767691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.767691 (E_RNA)
where:
Base-Base interactions energy: -160.511
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.008
local terms energy: -88.249180
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -198.616219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.616219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.616219 (E_RNA)
where:
Base-Base interactions energy: -118.926
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.314
local terms energy: -79.376135
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -17.305
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: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -190.568642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568642 (E_RNA)
where:
Base-Base interactions energy: -114.472
where: short stacking energy: -52.748
Base-Backbone interact. energy: -0.091
local terms energy: -76.005847
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -138.516160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516160 (E_RNA)
where:
Base-Base interactions energy: -70.146
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.866
local terms energy: -67.504182
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -88.020282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.020282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.020282 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.502
local terms energy: -53.246616
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: 5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -305.935530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.935530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.935530 (E_RNA)
where:
Base-Base interactions energy: -211.155
where: short stacking energy: -90.195
Base-Backbone interact. energy: -0.297
local terms energy: -94.482814
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -25.870
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: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -298.672118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.672118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.672118 (E_RNA)
where:
Base-Base interactions energy: -196.446
where: short stacking energy: -93.861
Base-Backbone interact. energy: -0.010
local terms energy: -102.216637
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -30.580
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: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -280.702471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.702471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.702471 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -88.213
Base-Backbone interact. energy: -0.001
local terms energy: -98.881099
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -25.188
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: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -228.456747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.456747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.456747 (E_RNA)
where:
Base-Base interactions energy: -143.451
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.110
local terms energy: -84.896024
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.822
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: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -226.375742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.375742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.375742 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.021
local terms energy: -75.009217
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -10.258
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -233.106756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.106756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.106756 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -57.513
Base-Backbone interact. energy: -0.732
local terms energy: -91.416982
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -208.760519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.760519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.760519 (E_RNA)
where:
Base-Base interactions energy: -121.626
where: short stacking energy: -61.566
Base-Backbone interact. energy: 0.300
local terms energy: -87.434783
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -186.225646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.225646 (E_RNA)
where:
Base-Base interactions energy: -121.614
where: short stacking energy: -54.978
Base-Backbone interact. energy: -0.775
local terms energy: -63.836667
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -84.616949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616949 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -18.090
Base-Backbone interact. energy: -0.570
local terms energy: -52.330303
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.643
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: 278
Temperature: 1.350000
Total energy: -92.192791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192791 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -31.068
Base-Backbone interact. energy: 0.184
local terms energy: -61.308525
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -312.797620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.797620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.797620 (E_RNA)
where:
Base-Base interactions energy: -217.225
where: short stacking energy: -89.534
Base-Backbone interact. energy: -0.878
local terms energy: -94.694714
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -281.762606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.762606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.762606 (E_RNA)
where:
Base-Base interactions energy: -185.778
where: short stacking energy: -83.387
Base-Backbone interact. energy: -0.695
local terms energy: -95.289742
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -29.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -296.504293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.504293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.504293 (E_RNA)
where:
Base-Base interactions energy: -198.226
where: short stacking energy: -92.700
Base-Backbone interact. energy: 0.019
local terms energy: -98.297214
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -242.060501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.060501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.060501 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.133
local terms energy: -89.431985
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -212.330751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.330751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.330751 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.175
local terms energy: -75.897493
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -265.650117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.650117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.650117 (E_RNA)
where:
Base-Base interactions energy: -178.682
where: short stacking energy: -81.758
Base-Backbone interact. energy: -0.238
local terms energy: -86.730533
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -24.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -181.018695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.018695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.018695 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.172
local terms energy: -70.480661
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -10.226
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: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -215.346063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.346063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.346063 (E_RNA)
where:
Base-Base interactions energy: -146.249
where: short stacking energy: -71.734
Base-Backbone interact. energy: -1.005
local terms energy: -68.092348
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -14.781
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -107.701876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.701876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.701876 (E_RNA)
where:
Base-Base interactions energy: -41.667
where: short stacking energy: -28.616
Base-Backbone interact. energy: -0.605
local terms energy: -65.429372
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.005722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005722 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -13.478
Base-Backbone interact. energy: -1.677
local terms energy: -59.088315
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: 6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -303.352260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.352260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.352260 (E_RNA)
where:
Base-Base interactions energy: -210.273
where: short stacking energy: -85.178
Base-Backbone interact. energy: -0.001
local terms energy: -93.078305
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -293.366874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.366874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.366874 (E_RNA)
where:
Base-Base interactions energy: -191.150
where: short stacking energy: -93.006
Base-Backbone interact. energy: -0.579
local terms energy: -101.636951
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -28.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -293.747591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.747591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.747591 (E_RNA)
where:
Base-Base interactions energy: -202.656
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.534
local terms energy: -90.556846
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -26.599
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: 280
Temperature: 1.050000
Total energy: -241.596953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.596953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.596953 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -68.801
Base-Backbone interact. energy: -1.059
local terms energy: -93.039588
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -253.923791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.923791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.923791 (E_RNA)
where:
Base-Base interactions energy: -172.038
where: short stacking energy: -71.006
Base-Backbone interact. energy: -0.166
local terms energy: -81.720082
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -202.990908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.990908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.990908 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -49.468
Base-Backbone interact. energy: 0.704
local terms energy: -65.134224
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -176.188358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.188358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.188358 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.124
local terms energy: -56.772198
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -172.346973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.346973 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.172
local terms energy: -75.091601
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -96.181089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181089 (E_RNA)
where:
Base-Base interactions energy: -48.239
where: short stacking energy: -32.034
Base-Backbone interact. energy: -0.207
local terms energy: -47.735190
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -114.639126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.639126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.639126 (E_RNA)
where:
Base-Base interactions energy: -52.546
where: short stacking energy: -28.964
Base-Backbone interact. energy: -1.184
local terms energy: -60.908942
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.000
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: 281
Temperature: 0.900000
Total energy: -302.689456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.689456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.689456 (E_RNA)
where:
Base-Base interactions energy: -199.136
where: short stacking energy: -84.779
Base-Backbone interact. energy: -0.005
local terms energy: -103.548090
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -29.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -287.627855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.627855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.627855 (E_RNA)
where:
Base-Base interactions energy: -189.460
where: short stacking energy: -87.774
Base-Backbone interact. energy: -0.039
local terms energy: -98.128059
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -294.857132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.857132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.857132 (E_RNA)
where:
Base-Base interactions energy: -200.110
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.602
local terms energy: -94.145865
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -26.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -223.780279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.780279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780279 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -73.272
Base-Backbone interact. energy: -0.665
local terms energy: -79.300778
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -19.427
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: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -235.401351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.401351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.401351 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.057
local terms energy: -83.877328
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -211.196026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.196026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196026 (E_RNA)
where:
Base-Base interactions energy: -141.265
where: short stacking energy: -52.548
Base-Backbone interact. energy: -0.087
local terms energy: -69.843796
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -15.042
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -222.708709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.708709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.708709 (E_RNA)
where:
Base-Base interactions energy: -156.391
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.018
local terms energy: -66.299903
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -170.385748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.385748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.385748 (E_RNA)
where:
Base-Base interactions energy: -94.957
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.193
local terms energy: -75.236180
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -108.508920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.508920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.508920 (E_RNA)
where:
Base-Base interactions energy: -44.227
where: short stacking energy: -39.184
Base-Backbone interact. energy: 0.685
local terms energy: -64.966940
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -94.118862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118862 (E_RNA)
where:
Base-Base interactions energy: -32.750
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.075
local terms energy: -61.293790
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: 2.272
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: 282
Temperature: 0.900000
Total energy: -292.905966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.905966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.905966 (E_RNA)
where:
Base-Base interactions energy: -215.657
where: short stacking energy: -80.772
Base-Backbone interact. energy: -0.360
local terms energy: -76.888478
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: -21.684
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: 282
Temperature: 0.950000
Total energy: -296.761071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.761071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.761071 (E_RNA)
where:
Base-Base interactions energy: -190.476
where: short stacking energy: -87.969
Base-Backbone interact. energy: -0.036
local terms energy: -106.249254
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -28.080
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: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -244.507445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.507445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.507445 (E_RNA)
where:
Base-Base interactions energy: -152.963
where: short stacking energy: -80.080
Base-Backbone interact. energy: -0.024
local terms energy: -91.521009
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -275.160393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.160393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.160393 (E_RNA)
where:
Base-Base interactions energy: -197.277
where: short stacking energy: -80.415
Base-Backbone interact. energy: -0.091
local terms energy: -77.791567
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -247.352235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.352235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.352235 (E_RNA)
where:
Base-Base interactions energy: -156.984
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.170
local terms energy: -90.198501
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -204.604124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.604124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.604124 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.771
local terms energy: -72.534750
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -230.313789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.313789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.313789 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -57.035
Base-Backbone interact. energy: -1.092
local terms energy: -72.970315
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.157
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -170.541713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.541713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.541713 (E_RNA)
where:
Base-Base interactions energy: -100.750
where: short stacking energy: -42.009
Base-Backbone interact. energy: -0.733
local terms energy: -69.058491
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -122.117164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.117164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.117164 (E_RNA)
where:
Base-Base interactions energy: -58.211
where: short stacking energy: -26.030
Base-Backbone interact. energy: -1.806
local terms energy: -62.100644
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -95.839074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.839074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.839074 (E_RNA)
where:
Base-Base interactions energy: -40.689
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.186
local terms energy: -54.963894
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -298.744946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.744946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.744946 (E_RNA)
where:
Base-Base interactions energy: -208.608
where: short stacking energy: -75.051
Base-Backbone interact. energy: -0.030
local terms energy: -90.106867
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -23.124
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -294.079131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.079131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.079131 (E_RNA)
where:
Base-Base interactions energy: -189.547
where: short stacking energy: -77.526
Base-Backbone interact. energy: 0.022
local terms energy: -104.554371
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -26.777
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: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -262.712026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.712026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.712026 (E_RNA)
where:
Base-Base interactions energy: -175.313
where: short stacking energy: -77.163
Base-Backbone interact. energy: -0.131
local terms energy: -87.268314
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -21.480
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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -239.691196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.691196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.691196 (E_RNA)
where:
Base-Base interactions energy: -151.784
where: short stacking energy: -78.857
Base-Backbone interact. energy: -0.006
local terms energy: -87.901378
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -254.654766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.654766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.654766 (E_RNA)
where:
Base-Base interactions energy: -167.773
where: short stacking energy: -80.908
Base-Backbone interact. energy: -1.188
local terms energy: -85.693637
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -248.865198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.865198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.865198 (E_RNA)
where:
Base-Base interactions energy: -172.651
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.599
local terms energy: -75.615513
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -200.693599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.693599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.693599 (E_RNA)
where:
Base-Base interactions energy: -123.451
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.668
local terms energy: -76.575111
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -122.340889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.340889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.340889 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -27.598
Base-Backbone interact. energy: -1.457
local terms energy: -67.843263
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -143.476288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.476288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.476288 (E_RNA)
where:
Base-Base interactions energy: -80.568
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.395
local terms energy: -62.513833
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -105.631770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.631770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.631770 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.128
local terms energy: -65.666096
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -302.192882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.192882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.192882 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -87.289
Base-Backbone interact. energy: 0.410
local terms energy: -101.507080
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -29.481
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: 284
Temperature: 0.950000
Total energy: -286.130114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.130114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.130114 (E_RNA)
where:
Base-Base interactions energy: -190.716
where: short stacking energy: -83.734
Base-Backbone interact. energy: -0.005
local terms energy: -95.409744
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -258.773833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.773833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.773833 (E_RNA)
where:
Base-Base interactions energy: -181.954
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.097
local terms energy: -76.722793
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -249.128583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.128583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.128583 (E_RNA)
where:
Base-Base interactions energy: -166.622
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.121
local terms energy: -82.385725
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -240.742533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.742533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.742533 (E_RNA)
where:
Base-Base interactions energy: -170.897
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.860
local terms energy: -68.985543
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -12.287
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: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -216.453969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.453969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453969 (E_RNA)
where:
Base-Base interactions energy: -139.668
where: short stacking energy: -51.628
Base-Backbone interact. energy: 0.724
local terms energy: -77.510034
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -15.740
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: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -191.928257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.928257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.928257 (E_RNA)
where:
Base-Base interactions energy: -121.574
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.020
local terms energy: -70.334552
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -12.676
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: 284
Temperature: 1.250000
Total energy: -119.328462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.328462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.328462 (E_RNA)
where:
Base-Base interactions energy: -63.453
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.364
local terms energy: -55.511585
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -144.144816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.144816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.144816 (E_RNA)
where:
Base-Base interactions energy: -76.393
where: short stacking energy: -45.682
Base-Backbone interact. energy: -0.879
local terms energy: -66.873468
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -11.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -103.366730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366730 (E_RNA)
where:
Base-Base interactions energy: -53.125
where: short stacking energy: -28.471
Base-Backbone interact. energy: -0.152
local terms energy: -50.089107
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -4.922
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: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -303.367048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.367048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.367048 (E_RNA)
where:
Base-Base interactions energy: -204.618
where: short stacking energy: -95.980
Base-Backbone interact. energy: -0.076
local terms energy: -98.673052
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -29.333
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: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -300.021861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.021861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.021861 (E_RNA)
where:
Base-Base interactions energy: -196.938
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.386
local terms energy: -102.697836
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -16.874
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: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -261.645735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.645735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.645735 (E_RNA)
where:
Base-Base interactions energy: -171.678
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.318
local terms energy: -89.649590
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -18.132
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: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -254.066335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.066335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.066335 (E_RNA)
where:
Base-Base interactions energy: -167.157
where: short stacking energy: -56.707
Base-Backbone interact. energy: -1.015
local terms energy: -85.893478
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -12.138
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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -230.474294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.474294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474294 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.006
local terms energy: -88.255068
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.297
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: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -269.302647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.302647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.302647 (E_RNA)
where:
Base-Base interactions energy: -177.967
where: short stacking energy: -77.047
Base-Backbone interact. energy: -0.589
local terms energy: -90.746805
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -203.709646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.709646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.709646 (E_RNA)
where:
Base-Base interactions energy: -126.425
where: short stacking energy: -67.389
Base-Backbone interact. energy: -1.197
local terms energy: -76.087512
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -157.011988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.011988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.011988 (E_RNA)
where:
Base-Base interactions energy: -91.842
where: short stacking energy: -45.686
Base-Backbone interact. energy: 0.211
local terms energy: -65.381570
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -8.787
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: 285
Temperature: 1.300000
Total energy: -108.561470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.561470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.561470 (E_RNA)
where:
Base-Base interactions energy: -48.252
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.232
local terms energy: -60.077138
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -9.458
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -86.262669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262669 (E_RNA)
where:
Base-Base interactions energy: -27.860
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.746
local terms energy: -57.656704
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.638
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: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -299.903898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.903898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.903898 (E_RNA)
where:
Base-Base interactions energy: -199.245
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.070
local terms energy: -100.588235
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -17.632
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: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -296.381102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.381102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.381102 (E_RNA)
where:
Base-Base interactions energy: -202.543
where: short stacking energy: -90.243
Base-Backbone interact. energy: 0.750
local terms energy: -94.588169
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -248.801908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.801908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.801908 (E_RNA)
where:
Base-Base interactions energy: -158.993
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.965
local terms energy: -88.843954
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -12.614
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: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -240.367361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.367361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.367361 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -76.925
Base-Backbone interact. energy: 0.390
local terms energy: -82.840012
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -275.659876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.659876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.659876 (E_RNA)
where:
Base-Base interactions energy: -181.004
where: short stacking energy: -85.434
Base-Backbone interact. energy: -0.090
local terms energy: -94.565903
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -12.256
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: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -216.684791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684791 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.244
local terms energy: -66.761785
where:
bonds (distance) C4'-P energy: -5.661
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -231.625093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.625093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.625093 (E_RNA)
where:
Base-Base interactions energy: -159.228
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.183
local terms energy: -72.213983
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -139.207956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.207956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.207956 (E_RNA)
where:
Base-Base interactions energy: -77.069
where: short stacking energy: -40.700
Base-Backbone interact. energy: -0.295
local terms energy: -61.843631
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -133.886319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.886319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.886319 (E_RNA)
where:
Base-Base interactions energy: -83.708
where: short stacking energy: -32.808
Base-Backbone interact. energy: -1.220
local terms energy: -48.958346
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -103.107094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.107094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.107094 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -30.269
Base-Backbone interact. energy: -0.130
local terms energy: -69.058940
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -303.773108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.773108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.773108 (E_RNA)
where:
Base-Base interactions energy: -205.810
where: short stacking energy: -101.970
Base-Backbone interact. energy: -1.176
local terms energy: -96.786754
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -31.308
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: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -298.436642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.436642 (E_RNA)
where:
Base-Base interactions energy: -204.807
where: short stacking energy: -84.514
Base-Backbone interact. energy: -0.415
local terms energy: -93.214089
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -253.536665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.536665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.536665 (E_RNA)
where:
Base-Base interactions energy: -166.083
where: short stacking energy: -68.687
Base-Backbone interact. energy: -0.537
local terms energy: -86.916847
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -281.920450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.920450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.920450 (E_RNA)
where:
Base-Base interactions energy: -185.118
where: short stacking energy: -83.011
Base-Backbone interact. energy: -0.502
local terms energy: -96.300461
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -17.213
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: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -243.010511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.010511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.010511 (E_RNA)
where:
Base-Base interactions energy: -160.277
where: short stacking energy: -68.955
Base-Backbone interact. energy: -1.124
local terms energy: -81.609012
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -234.588595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.588595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.588595 (E_RNA)
where:
Base-Base interactions energy: -157.278
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.697
local terms energy: -76.613199
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -246.340694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.340694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.340694 (E_RNA)
where:
Base-Base interactions energy: -165.578
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.094
local terms energy: -80.668572
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -172.671482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.671482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.671482 (E_RNA)
where:
Base-Base interactions energy: -107.873
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.097
local terms energy: -64.701841
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -11.742
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: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -89.428298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428298 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -25.405
Base-Backbone interact. energy: 0.435
local terms energy: -47.873641
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -104.024251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.024251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.024251 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.148
local terms energy: -60.565997
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -306.245410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.245410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.245410 (E_RNA)
where:
Base-Base interactions energy: -204.554
where: short stacking energy: -94.077
Base-Backbone interact. energy: -0.066
local terms energy: -101.624910
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -29.493
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: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -287.990086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.990086 (E_RNA)
where:
Base-Base interactions energy: -202.191
where: short stacking energy: -77.389
Base-Backbone interact. energy: -0.013
local terms energy: -85.786290
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -22.635
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -285.700645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.700645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.700645 (E_RNA)
where:
Base-Base interactions energy: -189.070
where: short stacking energy: -83.990
Base-Backbone interact. energy: -0.226
local terms energy: -96.404110
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -26.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -249.279331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.279331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.279331 (E_RNA)
where:
Base-Base interactions energy: -161.382
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.112
local terms energy: -87.785158
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -18.398
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: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -241.384524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.384524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.384524 (E_RNA)
where:
Base-Base interactions energy: -163.983
where: short stacking energy: -64.325
Base-Backbone interact. energy: 0.630
local terms energy: -78.031280
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -269.280132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.280132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.280132 (E_RNA)
where:
Base-Base interactions energy: -184.636
where: short stacking energy: -74.842
Base-Backbone interact. energy: -0.033
local terms energy: -84.611176
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -20.535
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: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -235.628401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.628401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.628401 (E_RNA)
where:
Base-Base interactions energy: -151.923
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.021
local terms energy: -83.685319
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -185.205587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.205587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.205587 (E_RNA)
where:
Base-Base interactions energy: -118.588
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.506
local terms energy: -66.111089
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -6.669
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -113.623711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.623711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.623711 (E_RNA)
where:
Base-Base interactions energy: -51.204
where: short stacking energy: -51.704
Base-Backbone interact. energy: 0.360
local terms energy: -62.779552
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -95.530190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.530190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.530190 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -17.909
Base-Backbone interact. energy: -0.038
local terms energy: -57.576380
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -307.932257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.932257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.932257 (E_RNA)
where:
Base-Base interactions energy: -197.980
where: short stacking energy: -93.487
Base-Backbone interact. energy: -0.625
local terms energy: -109.327326
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -30.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -287.117600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.117600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.117600 (E_RNA)
where:
Base-Base interactions energy: -193.314
where: short stacking energy: -83.412
Base-Backbone interact. energy: -0.381
local terms energy: -93.422592
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -25.048
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: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -281.043046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.043046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.043046 (E_RNA)
where:
Base-Base interactions energy: -188.222
where: short stacking energy: -88.112
Base-Backbone interact. energy: -0.115
local terms energy: -92.706252
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -28.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -259.882044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.882044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.882044 (E_RNA)
where:
Base-Base interactions energy: -179.442
where: short stacking energy: -76.936
Base-Backbone interact. energy: 0.357
local terms energy: -80.797180
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -243.278458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.278458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.278458 (E_RNA)
where:
Base-Base interactions energy: -166.573
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.393
local terms energy: -76.312678
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -256.294658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.294658 (E_RNA)
where:
Base-Base interactions energy: -175.869
where: short stacking energy: -83.895
Base-Backbone interact. energy: 0.306
local terms energy: -80.731804
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -6.715
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -26.470
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: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -197.906455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.906455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.906455 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.332
local terms energy: -69.786783
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -11.400
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -146.954712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.954712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.954712 (E_RNA)
where:
Base-Base interactions energy: -89.966
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.243
local terms energy: -56.745560
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -98.899744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.899744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.899744 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -43.083
Base-Backbone interact. energy: -0.059
local terms energy: -55.757864
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.009
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: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -100.060754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.060754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.060754 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -34.086
Base-Backbone interact. energy: -0.133
local terms energy: -64.941371
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -294.044368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.044368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.044368 (E_RNA)
where:
Base-Base interactions energy: -202.745
where: short stacking energy: -81.673
Base-Backbone interact. energy: -0.040
local terms energy: -91.259290
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -26.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -292.150841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.150841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.150841 (E_RNA)
where:
Base-Base interactions energy: -201.900
where: short stacking energy: -89.693
Base-Backbone interact. energy: -0.439
local terms energy: -89.811524
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -25.894
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: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -288.938880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.938880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.938880 (E_RNA)
where:
Base-Base interactions energy: -193.433
where: short stacking energy: -81.732
Base-Backbone interact. energy: -0.148
local terms energy: -95.357546
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -12.172
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: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -275.318205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.318205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.318205 (E_RNA)
where:
Base-Base interactions energy: -179.482
where: short stacking energy: -77.277
Base-Backbone interact. energy: -0.759
local terms energy: -95.076880
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -252.009704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.009704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.009704 (E_RNA)
where:
Base-Base interactions energy: -175.990
where: short stacking energy: -62.141
Base-Backbone interact. energy: -1.059
local terms energy: -74.961050
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -224.020007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.020007 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -57.761
Base-Backbone interact. energy: -1.017
local terms energy: -79.216589
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.141
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: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -209.691942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.691942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.691942 (E_RNA)
where:
Base-Base interactions energy: -133.365
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.133
local terms energy: -76.194538
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -157.013763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.013763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.013763 (E_RNA)
where:
Base-Base interactions energy: -89.266
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.354
local terms energy: -67.394182
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -105.335147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.335147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.335147 (E_RNA)
where:
Base-Base interactions energy: -42.246
where: short stacking energy: -39.058
Base-Backbone interact. energy: -0.485
local terms energy: -62.603464
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -104.293373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.293373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.293373 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -38.786
Base-Backbone interact. energy: 0.142
local terms energy: -65.649971
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -302.722540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.722540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.722540 (E_RNA)
where:
Base-Base interactions energy: -202.195
where: short stacking energy: -87.781
Base-Backbone interact. energy: -0.160
local terms energy: -100.367576
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -29.883
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: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -291.278284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.278284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.278284 (E_RNA)
where:
Base-Base interactions energy: -199.690
where: short stacking energy: -85.723
Base-Backbone interact. energy: -0.058
local terms energy: -91.530256
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -270.138677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.138677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.138677 (E_RNA)
where:
Base-Base interactions energy: -176.628
where: short stacking energy: -68.795
Base-Backbone interact. energy: 0.666
local terms energy: -94.176677
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -285.359155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.359155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.359155 (E_RNA)
where:
Base-Base interactions energy: -193.642
where: short stacking energy: -86.375
Base-Backbone interact. energy: -0.129
local terms energy: -91.588203
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -27.701
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: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -243.900915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.900915 (E_RNA)
where:
Base-Base interactions energy: -176.198
where: short stacking energy: -69.209
Base-Backbone interact. energy: 0.263
local terms energy: -67.965261
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -16.677
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: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -205.832939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.832939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.832939 (E_RNA)
where:
Base-Base interactions energy: -128.172
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.824
local terms energy: -76.837043
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -205.555115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.555115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.555115 (E_RNA)
where:
Base-Base interactions energy: -125.453
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.467
local terms energy: -79.635930
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -135.800974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.800974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.800974 (E_RNA)
where:
Base-Base interactions energy: -68.759
where: short stacking energy: -41.828
Base-Backbone interact. energy: -0.145
local terms energy: -66.897281
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -104.790225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.790225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.790225 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -36.896
Base-Backbone interact. energy: -0.229
local terms energy: -66.562814
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -113.820677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.820677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.820677 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.057
local terms energy: -66.061891
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -308.169708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.169708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.169708 (E_RNA)
where:
Base-Base interactions energy: -213.852
where: short stacking energy: -84.662
Base-Backbone interact. energy: -0.154
local terms energy: -94.163404
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -28.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -291.730446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.730446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.730446 (E_RNA)
where:
Base-Base interactions energy: -194.954
where: short stacking energy: -90.094
Base-Backbone interact. energy: -0.018
local terms energy: -96.757928
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -291.233199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.233199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.233199 (E_RNA)
where:
Base-Base interactions energy: -197.534
where: short stacking energy: -87.898
Base-Backbone interact. energy: -0.006
local terms energy: -93.693458
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -28.202
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: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -255.002114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.002114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.002114 (E_RNA)
where:
Base-Base interactions energy: -169.478
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.622
local terms energy: -84.901556
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -239.620379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.620379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.620379 (E_RNA)
where:
Base-Base interactions energy: -159.397
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.511
local terms energy: -79.712217
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -221.479430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479430 (E_RNA)
where:
Base-Base interactions energy: -148.287
where: short stacking energy: -65.691
Base-Backbone interact. energy: -0.299
local terms energy: -72.892698
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -207.315946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.315946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.315946 (E_RNA)
where:
Base-Base interactions energy: -143.434
where: short stacking energy: -52.286
Base-Backbone interact. energy: -0.293
local terms energy: -63.588313
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -8.459
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: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -166.410253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.410253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.410253 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -47.592
Base-Backbone interact. energy: -0.163
local terms energy: -77.006079
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -6.838
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: 292
Temperature: 1.300000
Total energy: -133.140384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.140384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.140384 (E_RNA)
where:
Base-Base interactions energy: -63.839
where: short stacking energy: -31.744
Base-Backbone interact. energy: -1.055
local terms energy: -68.246190
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -91.511097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.511097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.511097 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -20.855
Base-Backbone interact. energy: -0.119
local terms energy: -50.731116
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -294.712614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.712614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.712614 (E_RNA)
where:
Base-Base interactions energy: -185.912
where: short stacking energy: -87.219
Base-Backbone interact. energy: -0.001
local terms energy: -108.799041
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -28.410
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: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -289.102915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.102915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.102915 (E_RNA)
where:
Base-Base interactions energy: -193.870
where: short stacking energy: -92.134
Base-Backbone interact. energy: -0.686
local terms energy: -94.547027
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -31.029
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: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -285.774204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.774204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.774204 (E_RNA)
where:
Base-Base interactions energy: -189.760
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.001
local terms energy: -96.012855
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -250.337815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.337815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.337815 (E_RNA)
where:
Base-Base interactions energy: -169.409
where: short stacking energy: -62.880
Base-Backbone interact. energy: -1.231
local terms energy: -79.697726
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -232.663824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.663824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.663824 (E_RNA)
where:
Base-Base interactions energy: -159.229
where: short stacking energy: -57.480
Base-Backbone interact. energy: 0.447
local terms energy: -73.881846
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -209.837479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.837479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.837479 (E_RNA)
where:
Base-Base interactions energy: -138.134
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.524
local terms energy: -71.179262
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -205.077669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077669 (E_RNA)
where:
Base-Base interactions energy: -131.147
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.317
local terms energy: -73.613362
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -10.760
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: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -137.035178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.035178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.035178 (E_RNA)
where:
Base-Base interactions energy: -68.611
where: short stacking energy: -33.813
Base-Backbone interact. energy: 0.058
local terms energy: -68.481199
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -107.532369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.532369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.532369 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -31.961
Base-Backbone interact. energy: -0.116
local terms energy: -72.549398
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -10.039
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: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -88.331097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331097 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -25.251
Base-Backbone interact. energy: -0.013
local terms energy: -56.850606
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -301.884840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.884840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.884840 (E_RNA)
where:
Base-Base interactions energy: -196.042
where: short stacking energy: -94.276
Base-Backbone interact. energy: -0.182
local terms energy: -105.661453
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -27.393
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: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -283.026719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.026719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.026719 (E_RNA)
where:
Base-Base interactions energy: -190.671
where: short stacking energy: -85.230
Base-Backbone interact. energy: -0.679
local terms energy: -91.677557
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -24.986
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: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -282.688957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.688957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.688957 (E_RNA)
where:
Base-Base interactions energy: -185.956
where: short stacking energy: -72.006
Base-Backbone interact. energy: -0.401
local terms energy: -96.331493
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -24.387
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -262.103502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.103502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.103502 (E_RNA)
where:
Base-Base interactions energy: -178.868
where: short stacking energy: -77.178
Base-Backbone interact. energy: 0.273
local terms energy: -83.508491
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -262.759937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.759937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.759937 (E_RNA)
where:
Base-Base interactions energy: -176.568
where: short stacking energy: -67.698
Base-Backbone interact. energy: -0.173
local terms energy: -86.019156
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -11.953
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: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -219.467332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.467332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.467332 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.031
local terms energy: -83.655508
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -203.796872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796872 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.363
local terms energy: -79.375095
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.846
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -133.876724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.876724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.876724 (E_RNA)
where:
Base-Base interactions energy: -63.390
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.202
local terms energy: -70.284997
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -112.901761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.901761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.901761 (E_RNA)
where:
Base-Base interactions energy: -42.316
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.049
local terms energy: -70.536976
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -87.510440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.510440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.510440 (E_RNA)
where:
Base-Base interactions energy: -42.773
where: short stacking energy: -42.773
Base-Backbone interact. energy: -0.166
local terms energy: -44.572004
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -0.615
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -301.664235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.664235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.664235 (E_RNA)
where:
Base-Base interactions energy: -197.521
where: short stacking energy: -96.370
Base-Backbone interact. energy: -0.015
local terms energy: -104.128038
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -296.152815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.152815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.152815 (E_RNA)
where:
Base-Base interactions energy: -188.704
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.089
local terms energy: -107.360087
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -26.255
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: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -282.225586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.225586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.225586 (E_RNA)
where:
Base-Base interactions energy: -184.544
where: short stacking energy: -84.239
Base-Backbone interact. energy: 0.765
local terms energy: -98.446666
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -268.077949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.077949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.077949 (E_RNA)
where:
Base-Base interactions energy: -184.640
where: short stacking energy: -75.679
Base-Backbone interact. energy: -0.123
local terms energy: -83.315379
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -245.169478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.169478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.169478 (E_RNA)
where:
Base-Base interactions energy: -163.867
where: short stacking energy: -72.231
Base-Backbone interact. energy: -0.475
local terms energy: -80.828200
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -9.537
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: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -225.421350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421350 (E_RNA)
where:
Base-Base interactions energy: -143.454
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.151
local terms energy: -81.815959
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -21.093
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -185.006289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.006289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.006289 (E_RNA)
where:
Base-Base interactions energy: -109.655
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.022
local terms energy: -75.328536
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -118.560311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.560311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.560311 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -43.170
Base-Backbone interact. energy: -0.635
local terms energy: -68.075488
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -98.527942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.527942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.527942 (E_RNA)
where:
Base-Base interactions energy: -40.747
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.039
local terms energy: -57.742696
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -90.435618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.435618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.435618 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -37.051
Base-Backbone interact. energy: -0.218
local terms energy: -53.166800
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -297.442164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.442164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.442164 (E_RNA)
where:
Base-Base interactions energy: -195.438
where: short stacking energy: -89.098
Base-Backbone interact. energy: -0.001
local terms energy: -102.003520
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -28.373
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: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -295.417469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.417469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.417469 (E_RNA)
where:
Base-Base interactions energy: -191.043
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.003
local terms energy: -104.371828
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -30.173
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: 296
Temperature: 1.000000
Total energy: -278.072261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.072261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.072261 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -82.280
Base-Backbone interact. energy: -0.251
local terms energy: -89.886357
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -21.057
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: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -285.947606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.947606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.947606 (E_RNA)
where:
Base-Base interactions energy: -189.656
where: short stacking energy: -89.112
Base-Backbone interact. energy: -0.015
local terms energy: -96.276475
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -27.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -239.800140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.800140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.800140 (E_RNA)
where:
Base-Base interactions energy: -165.615
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.366
local terms energy: -73.819138
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -8.406
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -228.295802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.295802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.295802 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -72.779
Base-Backbone interact. energy: -0.895
local terms energy: -77.737297
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -238.624274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.624274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.624274 (E_RNA)
where:
Base-Base interactions energy: -167.734
where: short stacking energy: -62.781
Base-Backbone interact. energy: 0.015
local terms energy: -70.905926
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -108.777788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.777788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.777788 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -32.638
Base-Backbone interact. energy: 3.757
local terms energy: -69.802055
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -98.162118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.162118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.162118 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -36.323
Base-Backbone interact. energy: 0.675
local terms energy: -62.089028
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -90.947679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.947679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.947679 (E_RNA)
where:
Base-Base interactions energy: -27.154
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.037
local terms energy: -63.756780
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: 0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -291.219812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.219812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.219812 (E_RNA)
where:
Base-Base interactions energy: -195.164
where: short stacking energy: -92.662
Base-Backbone interact. energy: -0.159
local terms energy: -95.897125
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -28.688
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: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -282.991368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.991368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.991368 (E_RNA)
where:
Base-Base interactions energy: -187.688
where: short stacking energy: -80.423
Base-Backbone interact. energy: -0.636
local terms energy: -94.666578
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -27.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -272.317336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.317336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.317336 (E_RNA)
where:
Base-Base interactions energy: -183.195
where: short stacking energy: -80.315
Base-Backbone interact. energy: -0.134
local terms energy: -88.988386
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -259.455091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.455091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.455091 (E_RNA)
where:
Base-Base interactions energy: -168.063
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.368
local terms energy: -91.023700
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -258.552761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.552761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.552761 (E_RNA)
where:
Base-Base interactions energy: -177.912
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.767
local terms energy: -79.873258
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.792
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: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -229.638980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.638980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.638980 (E_RNA)
where:
Base-Base interactions energy: -140.992
where: short stacking energy: -68.854
Base-Backbone interact. energy: 0.029
local terms energy: -88.676253
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -214.538646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.538646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.538646 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -64.703
Base-Backbone interact. energy: -0.034
local terms energy: -83.158287
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -93.532356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532356 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -33.639
Base-Backbone interact. energy: 0.230
local terms energy: -59.214178
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -95.317209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317209 (E_RNA)
where:
Base-Base interactions energy: -42.425
where: short stacking energy: -42.425
Base-Backbone interact. energy: -0.193
local terms energy: -52.699810
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -3.650
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: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -111.769860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.769860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.769860 (E_RNA)
where:
Base-Base interactions energy: -37.884
where: short stacking energy: -34.466
Base-Backbone interact. energy: -1.810
local terms energy: -72.075801
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -17.352
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: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -297.202007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.202007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.202007 (E_RNA)
where:
Base-Base interactions energy: -195.110
where: short stacking energy: -87.703
Base-Backbone interact. energy: -0.022
local terms energy: -102.070328
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -30.778
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -294.289201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.289201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.289201 (E_RNA)
where:
Base-Base interactions energy: -197.068
where: short stacking energy: -91.170
Base-Backbone interact. energy: -0.272
local terms energy: -96.949472
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -27.604
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: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -280.254217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.254217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.254217 (E_RNA)
where:
Base-Base interactions energy: -192.177
where: short stacking energy: -82.897
Base-Backbone interact. energy: 1.153
local terms energy: -89.230011
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -21.333
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: 298
Temperature: 1.050000
Total energy: -253.509963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.509963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.509963 (E_RNA)
where:
Base-Base interactions energy: -164.541
where: short stacking energy: -70.793
Base-Backbone interact. energy: 1.089
local terms energy: -90.058290
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -267.295467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.295467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.295467 (E_RNA)
where:
Base-Base interactions energy: -181.253
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.069
local terms energy: -85.973632
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -215.104343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.104343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.104343 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.081
local terms energy: -70.302107
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -213.300920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.300920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.300920 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.324
local terms energy: -75.668178
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -19.103
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: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -112.847660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.847660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.847660 (E_RNA)
where:
Base-Base interactions energy: -48.997
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.147
local terms energy: -63.703384
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -2.924
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: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -113.950358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.950358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.950358 (E_RNA)
where:
Base-Base interactions energy: -53.975
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.170
local terms energy: -59.804931
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -99.432124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.432124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.432124 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.134
local terms energy: -66.161481
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -306.932733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.932733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.932733 (E_RNA)
where:
Base-Base interactions energy: -196.495
where: short stacking energy: -94.825
Base-Backbone interact. energy: -0.102
local terms energy: -110.336510
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -30.613
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -285.507775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.507775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.507775 (E_RNA)
where:
Base-Base interactions energy: -195.599
where: short stacking energy: -89.740
Base-Backbone interact. energy: -0.002
local terms energy: -89.906802
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -20.839
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -284.674720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.674720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.674720 (E_RNA)
where:
Base-Base interactions energy: -186.281
where: short stacking energy: -86.125
Base-Backbone interact. energy: -0.016
local terms energy: -98.377894
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -277.675664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.675664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.675664 (E_RNA)
where:
Base-Base interactions energy: -178.527
where: short stacking energy: -84.150
Base-Backbone interact. energy: 0.464
local terms energy: -99.612166
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -15.313
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -245.831202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.831202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.831202 (E_RNA)
where:
Base-Base interactions energy: -162.368
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.940
local terms energy: -82.523866
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -13.875
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: 299
Temperature: 1.150000
Total energy: -225.057361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057361 (E_RNA)
where:
Base-Base interactions energy: -150.721
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.156
local terms energy: -74.180451
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -17.917
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -221.221856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.221856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221856 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.832
local terms energy: -81.854116
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -113.208334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.208334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.208334 (E_RNA)
where:
Base-Base interactions energy: -53.630
where: short stacking energy: -28.586
Base-Backbone interact. energy: -0.497
local terms energy: -59.080993
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -102.916447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.916447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.916447 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.139
local terms energy: -62.168512
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -97.770963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.770963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.770963 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -26.857
Base-Backbone interact. energy: -0.479
local terms energy: -53.199255
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: 4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -287.707245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.707245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.707245 (E_RNA)
where:
Base-Base interactions energy: -193.162
where: short stacking energy: -79.914
Base-Backbone interact. energy: -1.149
local terms energy: -93.396533
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -284.962767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.962767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.962767 (E_RNA)
where:
Base-Base interactions energy: -188.104
where: short stacking energy: -82.877
Base-Backbone interact. energy: -0.017
local terms energy: -96.841337
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -27.418
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: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -274.990620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.990620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.990620 (E_RNA)
where:
Base-Base interactions energy: -173.943
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.788
local terms energy: -100.258784
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -284.496266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.496266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.496266 (E_RNA)
where:
Base-Base interactions energy: -195.070
where: short stacking energy: -81.234
Base-Backbone interact. energy: -0.012
local terms energy: -89.414189
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -24.516
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: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -260.846769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846769 (E_RNA)
where:
Base-Base interactions energy: -174.186
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.258
local terms energy: -86.403002
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -214.850924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.850924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.850924 (E_RNA)
where:
Base-Base interactions energy: -137.858
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.200
local terms energy: -76.793106
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -194.251290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.251290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.251290 (E_RNA)
where:
Base-Base interactions energy: -117.832
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.322
local terms energy: -76.097553
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -95.174450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.174450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.174450 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -21.112
Base-Backbone interact. energy: -0.249
local terms energy: -61.639794
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -92.065873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.065873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.065873 (E_RNA)
where:
Base-Base interactions energy: -29.524
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.987
local terms energy: -61.554571
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -12.648
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: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -112.299898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.299898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.299898 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -38.986
Base-Backbone interact. energy: 0.115
local terms energy: -68.852693
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -8.034
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -287.985736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.985736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.985736 (E_RNA)
where:
Base-Base interactions energy: -194.212
where: short stacking energy: -86.077
Base-Backbone interact. energy: -1.063
local terms energy: -92.710561
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -23.333
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: 301
Temperature: 0.950000
Total energy: -287.744659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.744659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.744659 (E_RNA)
where:
Base-Base interactions energy: -190.841
where: short stacking energy: -95.244
Base-Backbone interact. energy: -0.591
local terms energy: -96.312678
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -282.521636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.521636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.521636 (E_RNA)
where:
Base-Base interactions energy: -184.683
where: short stacking energy: -90.292
Base-Backbone interact. energy: 0.092
local terms energy: -97.929973
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -29.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -290.570233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.570233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.570233 (E_RNA)
where:
Base-Base interactions energy: -199.918
where: short stacking energy: -86.230
Base-Backbone interact. energy: -0.003
local terms energy: -90.649525
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -244.029957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.029957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.029957 (E_RNA)
where:
Base-Base interactions energy: -166.053
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.248
local terms energy: -77.729277
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -20.729
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -11.090
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: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -221.481872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481872 (E_RNA)
where:
Base-Base interactions energy: -149.956
where: short stacking energy: -67.916
Base-Backbone interact. energy: -0.236
local terms energy: -71.289386
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -191.083386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.083386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.083386 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.285
local terms energy: -62.913628
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -119.759059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.759059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.759059 (E_RNA)
where:
Base-Base interactions energy: -59.732
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.087
local terms energy: -59.940344
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -13.328
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: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -99.038226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.038226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.038226 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.198
local terms energy: -59.303813
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -89.474968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474968 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.259
local terms energy: -53.712984
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -291.476952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.476952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.476952 (E_RNA)
where:
Base-Base interactions energy: -196.043
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.002
local terms energy: -95.431221
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -24.919
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: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -301.977021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.977021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.977021 (E_RNA)
where:
Base-Base interactions energy: -208.898
where: short stacking energy: -86.476
Base-Backbone interact. energy: -0.183
local terms energy: -92.895852
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -288.263151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.263151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.263151 (E_RNA)
where:
Base-Base interactions energy: -193.939
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.052
local terms energy: -94.272472
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -26.768
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: 302
Temperature: 1.050000
Total energy: -273.831392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.831392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.831392 (E_RNA)
where:
Base-Base interactions energy: -189.354
where: short stacking energy: -86.455
Base-Backbone interact. energy: -0.927
local terms energy: -83.551012
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -248.010373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.010373 (E_RNA)
where:
Base-Base interactions energy: -174.254
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.463
local terms energy: -73.293309
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.301
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: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -213.601651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.601651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.601651 (E_RNA)
where:
Base-Base interactions energy: -140.218
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.159
local terms energy: -73.225146
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -12.667
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -205.289958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289958 (E_RNA)
where:
Base-Base interactions energy: -139.053
where: short stacking energy: -58.892
Base-Backbone interact. energy: 0.525
local terms energy: -66.762715
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -109.791575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.791575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.791575 (E_RNA)
where:
Base-Base interactions energy: -50.341
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.136
local terms energy: -59.314070
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -98.278788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.278788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.278788 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.100
local terms energy: -64.618358
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -107.419353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.419353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.419353 (E_RNA)
where:
Base-Base interactions energy: -56.933
where: short stacking energy: -34.480
Base-Backbone interact. energy: 1.790
local terms energy: -52.276412
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -286.067390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.067390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.067390 (E_RNA)
where:
Base-Base interactions energy: -189.697
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.116
local terms energy: -96.254365
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -22.538
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: 303
Temperature: 0.950000
Total energy: -297.584143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.584143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.584143 (E_RNA)
where:
Base-Base interactions energy: -198.781
where: short stacking energy: -96.239
Base-Backbone interact. energy: -0.290
local terms energy: -98.513860
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -26.642
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: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -250.900629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.900629 (E_RNA)
where:
Base-Base interactions energy: -154.821
where: short stacking energy: -82.569
Base-Backbone interact. energy: -1.071
local terms energy: -95.008899
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -21.350
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -244.363222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.363222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.363222 (E_RNA)
where:
Base-Base interactions energy: -175.692
where: short stacking energy: -75.083
Base-Backbone interact. energy: -0.166
local terms energy: -68.505667
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -236.663418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.663418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.663418 (E_RNA)
where:
Base-Base interactions energy: -160.678
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.044
local terms energy: -75.942033
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.862
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: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -233.483278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.483278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.483278 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.023
local terms energy: -87.603495
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -217.419595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.419595 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.151
local terms energy: -73.447529
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -93.645860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.645860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.645860 (E_RNA)
where:
Base-Base interactions energy: -38.497
where: short stacking energy: -38.497
Base-Backbone interact. energy: -0.157
local terms energy: -54.991603
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -7.077
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -102.507335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.507335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.507335 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.468
local terms energy: -64.304046
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -89.683415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.683415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.683415 (E_RNA)
where:
Base-Base interactions energy: -24.977
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.068
local terms energy: -64.639011
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -288.693699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.693699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.693699 (E_RNA)
where:
Base-Base interactions energy: -196.533
where: short stacking energy: -83.691
Base-Backbone interact. energy: -0.081
local terms energy: -92.080060
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -22.262
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: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -303.791715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.791715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.791715 (E_RNA)
where:
Base-Base interactions energy: -209.730
where: short stacking energy: -90.546
Base-Backbone interact. energy: -0.598
local terms energy: -93.463490
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -28.949
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -250.791573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.791573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.791573 (E_RNA)
where:
Base-Base interactions energy: -167.169
where: short stacking energy: -64.989
Base-Backbone interact. energy: -1.775
local terms energy: -81.847690
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -239.998594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.998594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.998594 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -79.651
Base-Backbone interact. energy: -0.166
local terms energy: -83.507821
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -216.994668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994668 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -54.413
Base-Backbone interact. energy: -0.393
local terms energy: -70.285807
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -266.818192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.818192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.818192 (E_RNA)
where:
Base-Base interactions energy: -188.219
where: short stacking energy: -71.512
Base-Backbone interact. energy: 1.048
local terms energy: -79.646771
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -20.568
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: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -103.504998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.504998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.504998 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.884
local terms energy: -57.203999
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -190.169066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.169066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.169066 (E_RNA)
where:
Base-Base interactions energy: -120.305
where: short stacking energy: -46.321
Base-Backbone interact. energy: -0.380
local terms energy: -69.483949
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -112.156367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.156367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.156367 (E_RNA)
where:
Base-Base interactions energy: -52.722
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.617
local terms energy: -58.817597
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -92.082682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.082682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.082682 (E_RNA)
where:
Base-Base interactions energy: -44.546
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.212
local terms energy: -47.325148
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: 2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -286.551322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.551322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.551322 (E_RNA)
where:
Base-Base interactions energy: -198.871
where: short stacking energy: -86.334
Base-Backbone interact. energy: -1.410
local terms energy: -86.270228
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -297.643464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.643464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.643464 (E_RNA)
where:
Base-Base interactions energy: -199.190
where: short stacking energy: -83.044
Base-Backbone interact. energy: -0.414
local terms energy: -98.039403
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -27.322
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -252.661691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.661691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.661691 (E_RNA)
where:
Base-Base interactions energy: -165.125
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.165
local terms energy: -87.372552
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -18.259
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: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -241.699975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.699975 (E_RNA)
where:
Base-Base interactions energy: -153.119
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.585
local terms energy: -87.995254
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -256.386455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.386455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.386455 (E_RNA)
where:
Base-Base interactions energy: -166.793
where: short stacking energy: -69.155
Base-Backbone interact. energy: -0.027
local terms energy: -89.566810
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -256.074701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.074701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.074701 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -69.158
Base-Backbone interact. energy: 0.086
local terms energy: -87.120707
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -22.997
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -108.586948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.586948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.586948 (E_RNA)
where:
Base-Base interactions energy: -37.157
where: short stacking energy: -30.691
Base-Backbone interact. energy: -1.673
local terms energy: -69.757381
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -101.516472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.516472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.516472 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.110
local terms energy: -66.875798
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -166.358999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.358999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.358999 (E_RNA)
where:
Base-Base interactions energy: -96.979
where: short stacking energy: -42.491
Base-Backbone interact. energy: -1.115
local terms energy: -68.264969
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -97.285094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285094 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.268
local terms energy: -57.411708
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -303.669218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.669218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.669218 (E_RNA)
where:
Base-Base interactions energy: -205.343
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.100
local terms energy: -98.225612
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -31.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -278.634662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.634662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.634662 (E_RNA)
where:
Base-Base interactions energy: -195.234
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.808
local terms energy: -82.592700
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -260.767371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.767371 (E_RNA)
where:
Base-Base interactions energy: -161.210
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.539
local terms energy: -99.018356
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -25.783
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -264.037876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.037876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.037876 (E_RNA)
where:
Base-Base interactions energy: -173.134
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.696
local terms energy: -90.208369
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -14.279
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -280.304774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.304774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.304774 (E_RNA)
where:
Base-Base interactions energy: -189.305
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.219
local terms energy: -90.780385
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -204.701847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701847 (E_RNA)
where:
Base-Base interactions energy: -134.889
where: short stacking energy: -55.467
Base-Backbone interact. energy: -1.544
local terms energy: -68.269040
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -4.222
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: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -103.270948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.270948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.270948 (E_RNA)
where:
Base-Base interactions energy: -30.740
where: short stacking energy: -30.647
Base-Backbone interact. energy: 0.520
local terms energy: -73.050522
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -98.030103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.030103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.030103 (E_RNA)
where:
Base-Base interactions energy: -31.562
where: short stacking energy: -31.562
Base-Backbone interact. energy: -0.730
local terms energy: -65.737644
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -175.780918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.780918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.780918 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.844
local terms energy: -57.247591
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -92.402875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.402875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.402875 (E_RNA)
where:
Base-Base interactions energy: -25.891
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.359
local terms energy: -66.152822
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -291.924009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.924009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.924009 (E_RNA)
where:
Base-Base interactions energy: -190.973
where: short stacking energy: -88.825
Base-Backbone interact. energy: -0.003
local terms energy: -100.947230
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -24.957
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: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -282.681535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.681535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.681535 (E_RNA)
where:
Base-Base interactions energy: -187.327
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.001
local terms energy: -95.353257
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -236.801517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.801517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.801517 (E_RNA)
where:
Base-Base interactions energy: -149.345
where: short stacking energy: -72.671
Base-Backbone interact. energy: 0.338
local terms energy: -87.794731
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -249.824177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.824177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.824177 (E_RNA)
where:
Base-Base interactions energy: -153.502
where: short stacking energy: -83.452
Base-Backbone interact. energy: -0.299
local terms energy: -96.022822
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -237.024762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.024762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.024762 (E_RNA)
where:
Base-Base interactions energy: -160.685
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.485
local terms energy: -75.854737
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -221.340119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.340119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.340119 (E_RNA)
where:
Base-Base interactions energy: -143.831
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.523
local terms energy: -76.985892
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -119.238045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.238045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.238045 (E_RNA)
where:
Base-Base interactions energy: -64.027
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.073
local terms energy: -55.137725
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: 1.146
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: 307
Temperature: 1.250000
Total energy: -152.989481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.989481 (E_RNA)
where:
Base-Base interactions energy: -89.583
where: short stacking energy: -48.010
Base-Backbone interact. energy: -0.107
local terms energy: -63.299384
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -112.137254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.137254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.137254 (E_RNA)
where:
Base-Base interactions energy: -60.205
where: short stacking energy: -38.804
Base-Backbone interact. energy: -0.194
local terms energy: -51.738063
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -2.070
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -104.295293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.295293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.295293 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.455
local terms energy: -56.692814
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -284.057668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.057668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.057668 (E_RNA)
where:
Base-Base interactions energy: -187.966
where: short stacking energy: -78.654
Base-Backbone interact. energy: -0.423
local terms energy: -95.668690
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -294.185325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.185325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.185325 (E_RNA)
where:
Base-Base interactions energy: -196.138
where: short stacking energy: -93.296
Base-Backbone interact. energy: -0.081
local terms energy: -97.966486
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -29.042
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: 308
Temperature: 1.000000
Total energy: -257.379117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.379117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.379117 (E_RNA)
where:
Base-Base interactions energy: -167.490
where: short stacking energy: -72.503
Base-Backbone interact. energy: -0.589
local terms energy: -89.299456
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -250.269390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.269390 (E_RNA)
where:
Base-Base interactions energy: -167.103
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.220
local terms energy: -82.946232
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -7.978
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: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -237.020875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.020875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.020875 (E_RNA)
where:
Base-Base interactions energy: -143.734
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.290
local terms energy: -92.996571
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -236.665278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.665278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.665278 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -66.776
Base-Backbone interact. energy: 2.068
local terms energy: -87.500004
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -148.596308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.596308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.596308 (E_RNA)
where:
Base-Base interactions energy: -81.814
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.135
local terms energy: -66.647977
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.598
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: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -95.738606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.738606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.738606 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.418
local terms energy: -58.892768
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -0.603
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -110.692754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.692754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.692754 (E_RNA)
where:
Base-Base interactions energy: -54.356
where: short stacking energy: -26.699
Base-Backbone interact. energy: -1.832
local terms energy: -54.504805
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: 4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -85.059969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.059969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.059969 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -21.296
Base-Backbone interact. energy: -0.318
local terms energy: -55.601733
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 0.966
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: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -287.789240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.789240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.789240 (E_RNA)
where:
Base-Base interactions energy: -188.514
where: short stacking energy: -80.205
Base-Backbone interact. energy: -1.258
local terms energy: -98.017450
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -290.089700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.089700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.089700 (E_RNA)
where:
Base-Base interactions energy: -192.906
where: short stacking energy: -83.676
Base-Backbone interact. energy: -0.041
local terms energy: -97.142113
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -12.222
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: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -276.202761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.202761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.202761 (E_RNA)
where:
Base-Base interactions energy: -176.792
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.418
local terms energy: -98.992737
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -234.862172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.862172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.862172 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.255
local terms energy: -79.338726
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -10.495
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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -226.361408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361408 (E_RNA)
where:
Base-Base interactions energy: -153.853
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.243
local terms energy: -72.265430
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -12.348
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: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -220.916834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.916834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.916834 (E_RNA)
where:
Base-Base interactions energy: -157.142
where: short stacking energy: -65.997
Base-Backbone interact. energy: 0.835
local terms energy: -64.609708
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -10.936
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: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -167.267555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.267555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.267555 (E_RNA)
where:
Base-Base interactions energy: -87.023
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.010
local terms energy: -80.235517
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -122.885541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.885541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.885541 (E_RNA)
where:
Base-Base interactions energy: -52.938
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.299
local terms energy: -69.648941
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -4.945
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: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -99.506663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.506663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.506663 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.951
local terms energy: -59.624271
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -95.106908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.106908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.106908 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.041
local terms energy: -66.193529
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -291.427972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.427972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.427972 (E_RNA)
where:
Base-Base interactions energy: -191.732
where: short stacking energy: -84.375
Base-Backbone interact. energy: -0.316
local terms energy: -99.379904
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -29.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -289.973127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.973127 (E_RNA)
where:
Base-Base interactions energy: -189.419
where: short stacking energy: -75.571
Base-Backbone interact. energy: -0.270
local terms energy: -100.283935
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -272.861790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.861790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.861790 (E_RNA)
where:
Base-Base interactions energy: -181.343
where: short stacking energy: -80.738
Base-Backbone interact. energy: -0.370
local terms energy: -91.149018
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -233.107255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.107255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.107255 (E_RNA)
where:
Base-Base interactions energy: -158.893
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.233
local terms energy: -73.980974
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -230.800647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.800647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.800647 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -66.320
Base-Backbone interact. energy: -1.024
local terms energy: -80.789076
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -237.335060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.335060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.335060 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.149
local terms energy: -74.307678
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -176.210370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.210370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.210370 (E_RNA)
where:
Base-Base interactions energy: -100.457
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.131
local terms energy: -75.622116
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -11.640
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: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.779561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779561 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.189
local terms energy: -59.361644
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -4.432
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -124.697195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.697195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.697195 (E_RNA)
where:
Base-Base interactions energy: -63.477
where: short stacking energy: -35.832
Base-Backbone interact. energy: 0.033
local terms energy: -61.253669
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -93.786024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.786024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.786024 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -23.907
Base-Backbone interact. energy: -0.178
local terms energy: -63.311710
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -297.448483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.448483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.448483 (E_RNA)
where:
Base-Base interactions energy: -201.120
where: short stacking energy: -80.027
Base-Backbone interact. energy: -0.381
local terms energy: -95.947230
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.276
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: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -293.077785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.077785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.077785 (E_RNA)
where:
Base-Base interactions energy: -196.408
where: short stacking energy: -85.015
Base-Backbone interact. energy: -0.064
local terms energy: -96.605379
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -29.722
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: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -289.222438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.222438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.222438 (E_RNA)
where:
Base-Base interactions energy: -197.828
where: short stacking energy: -79.588
Base-Backbone interact. energy: 2.133
local terms energy: -93.526773
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -21.206
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -244.106038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.106038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.106038 (E_RNA)
where:
Base-Base interactions energy: -159.495
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.097
local terms energy: -84.514377
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -219.324071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.324071 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -57.779
Base-Backbone interact. energy: -1.007
local terms energy: -69.983558
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -241.467678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.467678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.467678 (E_RNA)
where:
Base-Base interactions energy: -159.968
where: short stacking energy: -68.486
Base-Backbone interact. energy: -1.063
local terms energy: -80.436582
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -172.596080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.596080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.596080 (E_RNA)
where:
Base-Base interactions energy: -105.145
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.190
local terms energy: -67.261156
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -99.200637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.200637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.200637 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -31.896
Base-Backbone interact. energy: -0.407
local terms energy: -66.897549
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -116.603317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.603317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.603317 (E_RNA)
where:
Base-Base interactions energy: -52.164
where: short stacking energy: -41.130
Base-Backbone interact. energy: -0.086
local terms energy: -64.353120
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -16.242
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: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -84.977533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.977533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.977533 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.459
local terms energy: -56.605361
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -305.965257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.965257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.965257 (E_RNA)
where:
Base-Base interactions energy: -208.821
where: short stacking energy: -90.414
Base-Backbone interact. energy: -0.072
local terms energy: -97.071846
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -29.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -297.134917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.134917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.134917 (E_RNA)
where:
Base-Base interactions energy: -193.311
where: short stacking energy: -90.341
Base-Backbone interact. energy: -0.023
local terms energy: -103.800632
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -29.591
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: 312
Temperature: 1.000000
Total energy: -278.152525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.152525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.152525 (E_RNA)
where:
Base-Base interactions energy: -187.891
where: short stacking energy: -87.275
Base-Backbone interact. energy: -0.089
local terms energy: -90.172201
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -254.077730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.077730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.077730 (E_RNA)
where:
Base-Base interactions energy: -181.181
where: short stacking energy: -74.315
Base-Backbone interact. energy: -0.202
local terms energy: -72.694872
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -246.095908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.095908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.095908 (E_RNA)
where:
Base-Base interactions energy: -175.910
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.293
local terms energy: -69.892998
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -228.423266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.423266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.423266 (E_RNA)
where:
Base-Base interactions energy: -155.245
where: short stacking energy: -75.810
Base-Backbone interact. energy: -0.018
local terms energy: -73.160007
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -7.101
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -14.175
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: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -200.324838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.324838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.324838 (E_RNA)
where:
Base-Base interactions energy: -122.619
where: short stacking energy: -55.390
Base-Backbone interact. energy: 0.891
local terms energy: -78.596644
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -111.881440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.881440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.881440 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -28.259
Base-Backbone interact. energy: -0.218
local terms energy: -63.036694
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -100.685655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.685655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.685655 (E_RNA)
where:
Base-Base interactions energy: -38.961
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.151
local terms energy: -61.573297
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -101.966916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966916 (E_RNA)
where:
Base-Base interactions energy: -28.090
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.199
local terms energy: -73.677586
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -304.653511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.653511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.653511 (E_RNA)
where:
Base-Base interactions energy: -200.794
where: short stacking energy: -91.935
Base-Backbone interact. energy: -0.081
local terms energy: -103.778490
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -29.247
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: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -296.940948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.940948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.940948 (E_RNA)
where:
Base-Base interactions energy: -197.310
where: short stacking energy: -93.340
Base-Backbone interact. energy: -0.517
local terms energy: -99.113785
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -274.171925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.171925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.171925 (E_RNA)
where:
Base-Base interactions energy: -187.798
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.136
local terms energy: -86.238177
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -233.006702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.006702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.006702 (E_RNA)
where:
Base-Base interactions energy: -147.521
where: short stacking energy: -65.732
Base-Backbone interact. energy: -1.203
local terms energy: -84.282905
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -258.403203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.403203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403203 (E_RNA)
where:
Base-Base interactions energy: -162.869
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.864
local terms energy: -94.669712
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -200.964333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.964333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.964333 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -56.375
Base-Backbone interact. energy: -0.507
local terms energy: -75.575054
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -7.972
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: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -196.195620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.195620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.195620 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -55.109
Base-Backbone interact. energy: 1.355
local terms energy: -79.333459
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -119.295906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.295906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.295906 (E_RNA)
where:
Base-Base interactions energy: -66.192
where: short stacking energy: -47.627
Base-Backbone interact. energy: -1.177
local terms energy: -51.926124
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -1.028
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: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -103.990693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.990693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.990693 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -28.576
Base-Backbone interact. energy: -0.069
local terms energy: -69.338918
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -86.266301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.266301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.266301 (E_RNA)
where:
Base-Base interactions energy: -26.992
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.729
local terms energy: -58.544931
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -9.980
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: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -294.444170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.444170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.444170 (E_RNA)
where:
Base-Base interactions energy: -194.811
where: short stacking energy: -80.676
Base-Backbone interact. energy: -0.130
local terms energy: -99.503936
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -26.480
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: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -293.778270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.778270 (E_RNA)
where:
Base-Base interactions energy: -195.900
where: short stacking energy: -88.861
Base-Backbone interact. energy: -0.021
local terms energy: -97.856954
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -278.272133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.272133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.272133 (E_RNA)
where:
Base-Base interactions energy: -192.913
where: short stacking energy: -84.986
Base-Backbone interact. energy: -0.162
local terms energy: -85.197173
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -258.199018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.199018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.199018 (E_RNA)
where:
Base-Base interactions energy: -169.517
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.152
local terms energy: -88.530159
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -248.030131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030131 (E_RNA)
where:
Base-Base interactions energy: -167.549
where: short stacking energy: -80.586
Base-Backbone interact. energy: -0.066
local terms energy: -80.414268
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -182.112958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.112958 (E_RNA)
where:
Base-Base interactions energy: -107.323
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.446
local terms energy: -74.344202
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -114.623094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.623094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.623094 (E_RNA)
where:
Base-Base interactions energy: -45.099
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.304
local terms energy: -69.220298
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -13.105
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: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -195.666047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.666047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.666047 (E_RNA)
where:
Base-Base interactions energy: -131.766
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.256
local terms energy: -63.644417
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -6.407
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -97.652690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.652690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.652690 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -27.669
Base-Backbone interact. energy: 0.742
local terms energy: -59.356023
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -5.084
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -84.925780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925780 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -29.916
Base-Backbone interact. energy: 0.409
local terms energy: -54.555862
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -291.363572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.363572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.363572 (E_RNA)
where:
Base-Base interactions energy: -196.407
where: short stacking energy: -84.826
Base-Backbone interact. energy: -0.182
local terms energy: -94.774526
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -287.848222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.848222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.848222 (E_RNA)
where:
Base-Base interactions energy: -189.871
where: short stacking energy: -83.755
Base-Backbone interact. energy: -0.051
local terms energy: -97.926707
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -27.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -276.222478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.222478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.222478 (E_RNA)
where:
Base-Base interactions energy: -179.291
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.723
local terms energy: -96.208329
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -22.021
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: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -257.041406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.041406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.041406 (E_RNA)
where:
Base-Base interactions energy: -171.417
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.794
local terms energy: -84.830100
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -238.082165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.082165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.082165 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.174
local terms energy: -89.311318
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -178.193978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.193978 (E_RNA)
where:
Base-Base interactions energy: -99.363
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.372
local terms energy: -78.459435
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -119.401571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.401571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.401571 (E_RNA)
where:
Base-Base interactions energy: -54.917
where: short stacking energy: -48.152
Base-Backbone interact. energy: -0.660
local terms energy: -63.824477
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: 1.306
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -205.472685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472685 (E_RNA)
where:
Base-Base interactions energy: -129.176
where: short stacking energy: -65.217
Base-Backbone interact. energy: -1.018
local terms energy: -75.278966
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -15.492
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: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -97.312203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.312203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.312203 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.277
local terms energy: -55.165889
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -136.969470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.969470 (E_RNA)
where:
Base-Base interactions energy: -76.019
where: short stacking energy: -36.645
Base-Backbone interact. energy: 0.014
local terms energy: -60.964060
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -6.653
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: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -303.209373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.209373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.209373 (E_RNA)
where:
Base-Base interactions energy: -199.945
where: short stacking energy: -86.003
Base-Backbone interact. energy: -0.223
local terms energy: -103.042045
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -295.369921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.369921 (E_RNA)
where:
Base-Base interactions energy: -195.934
where: short stacking energy: -85.936
Base-Backbone interact. energy: -0.658
local terms energy: -98.777719
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -24.785
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: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -288.554000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.554000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.554000 (E_RNA)
where:
Base-Base interactions energy: -196.531
where: short stacking energy: -80.395
Base-Backbone interact. energy: -0.027
local terms energy: -91.995811
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -11.920
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: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -253.383224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.383224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.383224 (E_RNA)
where:
Base-Base interactions energy: -172.860
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.768
local terms energy: -79.754823
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -11.579
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: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -245.374287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.374287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.374287 (E_RNA)
where:
Base-Base interactions energy: -157.708
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.204
local terms energy: -87.462466
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -19.699
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: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -191.800269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.800269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.800269 (E_RNA)
where:
Base-Base interactions energy: -107.509
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.722
local terms energy: -83.569211
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -12.750
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: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -222.029357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.029357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.029357 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.250
local terms energy: -67.728279
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -105.384984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.384984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.384984 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.013
local terms energy: -77.604362
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -148.940445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.940445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.940445 (E_RNA)
where:
Base-Base interactions energy: -87.947
where: short stacking energy: -47.257
Base-Backbone interact. energy: -1.030
local terms energy: -59.964109
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -95.638899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.638899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.638899 (E_RNA)
where:
Base-Base interactions energy: -33.311
where: short stacking energy: -25.356
Base-Backbone interact. energy: -0.435
local terms energy: -61.893281
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -311.198082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.198082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.198082 (E_RNA)
where:
Base-Base interactions energy: -204.441
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.041
local terms energy: -106.715987
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -284.080269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.080269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.080269 (E_RNA)
where:
Base-Base interactions energy: -188.633
where: short stacking energy: -86.067
Base-Backbone interact. energy: 0.013
local terms energy: -95.460340
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -23.546
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -291.122853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.122853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.122853 (E_RNA)
where:
Base-Base interactions energy: -184.400
where: short stacking energy: -89.378
Base-Backbone interact. energy: -0.001
local terms energy: -106.722466
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -268.529609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.529609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.529609 (E_RNA)
where:
Base-Base interactions energy: -178.393
where: short stacking energy: -80.003
Base-Backbone interact. energy: -1.256
local terms energy: -88.880505
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -258.266589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.266589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.266589 (E_RNA)
where:
Base-Base interactions energy: -177.190
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.788
local terms energy: -80.289041
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -263.713454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.713454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.713454 (E_RNA)
where:
Base-Base interactions energy: -180.858
where: short stacking energy: -79.261
Base-Backbone interact. energy: -0.483
local terms energy: -82.372343
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -5.386
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: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -175.343852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.343852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.343852 (E_RNA)
where:
Base-Base interactions energy: -96.193
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.328
local terms energy: -78.823073
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -146.091322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.091322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.091322 (E_RNA)
where:
Base-Base interactions energy: -77.515
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.102
local terms energy: -68.474903
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -6.438
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: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -95.969436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.969436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.969436 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -34.513
Base-Backbone interact. energy: -1.132
local terms energy: -58.738256
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -2.837
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: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -92.133370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.133370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.133370 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -30.378
Base-Backbone interact. energy: -0.004
local terms energy: -61.751298
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -308.134891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.134891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.134891 (E_RNA)
where:
Base-Base interactions energy: -206.038
where: short stacking energy: -97.107
Base-Backbone interact. energy: -0.178
local terms energy: -101.919178
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -13.641
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: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -288.884779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.884779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.884779 (E_RNA)
where:
Base-Base interactions energy: -201.893
where: short stacking energy: -85.443
Base-Backbone interact. energy: -0.401
local terms energy: -86.590681
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -27.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -286.220761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.220761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.220761 (E_RNA)
where:
Base-Base interactions energy: -196.177
where: short stacking energy: -89.299
Base-Backbone interact. energy: -0.008
local terms energy: -90.036289
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -24.974
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -278.178210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.178210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.178210 (E_RNA)
where:
Base-Base interactions energy: -183.942
where: short stacking energy: -78.321
Base-Backbone interact. energy: -0.019
local terms energy: -94.217532
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -23.829
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: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -268.264869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.264869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.264869 (E_RNA)
where:
Base-Base interactions energy: -183.208
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.293
local terms energy: -84.763430
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -25.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -262.076775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.076775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.076775 (E_RNA)
where:
Base-Base interactions energy: -176.917
where: short stacking energy: -60.026
Base-Backbone interact. energy: -1.448
local terms energy: -83.711732
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -116.072526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.072526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.072526 (E_RNA)
where:
Base-Base interactions energy: -53.774
where: short stacking energy: -41.170
Base-Backbone interact. energy: 0.502
local terms energy: -62.800628
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -9.001
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: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -200.507161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.507161 (E_RNA)
where:
Base-Base interactions energy: -127.917
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.309
local terms energy: -72.282077
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -91.653160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.653160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.653160 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.042
local terms energy: -61.018698
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -0.238
tors. eta vs tors. theta energy: -3.531
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: 318
Temperature: 1.350000
Total energy: -87.912900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.912900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.912900 (E_RNA)
where:
Base-Base interactions energy: -47.104
where: short stacking energy: -15.807
Base-Backbone interact. energy: 0.928
local terms energy: -41.737251
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -304.176206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.176206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.176206 (E_RNA)
where:
Base-Base interactions energy: -209.471
where: short stacking energy: -81.525
Base-Backbone interact. energy: -0.110
local terms energy: -94.595517
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -276.074744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.074744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.074744 (E_RNA)
where:
Base-Base interactions energy: -174.830
where: short stacking energy: -86.271
Base-Backbone interact. energy: -0.192
local terms energy: -101.052247
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -18.050
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -283.127220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.127220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.127220 (E_RNA)
where:
Base-Base interactions energy: -196.622
where: short stacking energy: -80.853
Base-Backbone interact. energy: -0.088
local terms energy: -86.417163
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -23.919
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: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -262.808115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.808115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.808115 (E_RNA)
where:
Base-Base interactions energy: -184.268
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.143
local terms energy: -78.397409
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -20.345
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -267.279538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.279538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.279538 (E_RNA)
where:
Base-Base interactions energy: -177.751
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.605
local terms energy: -88.922908
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -261.678205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.678205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.678205 (E_RNA)
where:
Base-Base interactions energy: -185.228
where: short stacking energy: -74.221
Base-Backbone interact. energy: -0.159
local terms energy: -76.291154
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -115.047259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.047259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.047259 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -34.596
Base-Backbone interact. energy: 0.354
local terms energy: -67.602318
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -112.118320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.118320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.118320 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -37.675
Base-Backbone interact. energy: -0.006
local terms energy: -73.745378
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -11.084
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: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -187.798059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.798059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.798059 (E_RNA)
where:
Base-Base interactions energy: -110.718
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.357
local terms energy: -76.722372
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -14.048
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: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -87.079976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079976 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.935
local terms energy: -58.271970
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -0.451
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -275.659310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.659310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.659310 (E_RNA)
where:
Base-Base interactions energy: -185.328
where: short stacking energy: -79.109
Base-Backbone interact. energy: -0.080
local terms energy: -90.251510
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -276.952457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.952457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.952457 (E_RNA)
where:
Base-Base interactions energy: -182.250
where: short stacking energy: -81.008
Base-Backbone interact. energy: -0.624
local terms energy: -94.078373
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -274.413934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.413934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.413934 (E_RNA)
where:
Base-Base interactions energy: -188.594
where: short stacking energy: -77.776
Base-Backbone interact. energy: -0.181
local terms energy: -85.639637
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -270.979292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.979292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.979292 (E_RNA)
where:
Base-Base interactions energy: -185.281
where: short stacking energy: -72.789
Base-Backbone interact. energy: -0.010
local terms energy: -85.688983
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -20.502
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -268.702013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.702013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.702013 (E_RNA)
where:
Base-Base interactions energy: -190.764
where: short stacking energy: -72.777
Base-Backbone interact. energy: -0.514
local terms energy: -77.424156
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -224.562079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.562079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.562079 (E_RNA)
where:
Base-Base interactions energy: -149.360
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.072
local terms energy: -75.130859
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -15.541
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: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -111.744590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.744590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.744590 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.354
local terms energy: -70.582944
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -129.588265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.588265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.588265 (E_RNA)
where:
Base-Base interactions energy: -68.066
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.277
local terms energy: -61.245118
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -1.234
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: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -187.187556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.187556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.187556 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.890
local terms energy: -69.554224
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -82.545506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545506 (E_RNA)
where:
Base-Base interactions energy: -28.645
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.177
local terms energy: -53.723097
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -9.699
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -287.763285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.763285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.763285 (E_RNA)
where:
Base-Base interactions energy: -186.268
where: short stacking energy: -86.278
Base-Backbone interact. energy: -0.127
local terms energy: -101.367960
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -15.478
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: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -291.527824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.527824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.527824 (E_RNA)
where:
Base-Base interactions energy: -191.990
where: short stacking energy: -89.400
Base-Backbone interact. energy: -0.611
local terms energy: -98.927426
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -29.795
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: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -286.357949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.357949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.357949 (E_RNA)
where:
Base-Base interactions energy: -190.663
where: short stacking energy: -83.170
Base-Backbone interact. energy: 0.188
local terms energy: -95.883259
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -264.846483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.846483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.846483 (E_RNA)
where:
Base-Base interactions energy: -179.946
where: short stacking energy: -66.344
Base-Backbone interact. energy: -0.218
local terms energy: -84.682131
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -263.059016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.059016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.059016 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.015
local terms energy: -102.997788
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -28.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -239.827114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.827114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.827114 (E_RNA)
where:
Base-Base interactions energy: -155.582
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.232
local terms energy: -84.012535
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -110.778040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.778040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.778040 (E_RNA)
where:
Base-Base interactions energy: -41.020
where: short stacking energy: -37.677
Base-Backbone interact. energy: 0.463
local terms energy: -70.221407
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -215.125962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.125962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.125962 (E_RNA)
where:
Base-Base interactions energy: -153.085
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.105
local terms energy: -61.935890
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -100.232763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.232763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.232763 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -27.715
Base-Backbone interact. energy: -0.296
local terms energy: -64.037083
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: 1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -126.302309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.302309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.302309 (E_RNA)
where:
Base-Base interactions energy: -73.552
where: short stacking energy: -37.386
Base-Backbone interact. energy: 1.624
local terms energy: -54.374523
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -302.853724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.853724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.853724 (E_RNA)
where:
Base-Base interactions energy: -201.896
where: short stacking energy: -90.801
Base-Backbone interact. energy: -0.376
local terms energy: -100.581400
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -16.418
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: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -265.868154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.868154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.868154 (E_RNA)
where:
Base-Base interactions energy: -177.459
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.006
local terms energy: -88.402999
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -278.805357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.805357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.805357 (E_RNA)
where:
Base-Base interactions energy: -190.309
where: short stacking energy: -71.649
Base-Backbone interact. energy: -0.406
local terms energy: -88.090490
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -268.994124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.994124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.994124 (E_RNA)
where:
Base-Base interactions energy: -179.629
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.039
local terms energy: -89.326314
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -8.435
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: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -262.898541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.898541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.898541 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -73.653
Base-Backbone interact. energy: -0.106
local terms energy: -84.076156
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -23.854
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -224.528615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.528615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.528615 (E_RNA)
where:
Base-Base interactions energy: -145.901
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.745
local terms energy: -77.882751
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -212.802611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802611 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -74.402
Base-Backbone interact. energy: -0.174
local terms energy: -76.924220
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -108.407468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.407468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.407468 (E_RNA)
where:
Base-Base interactions energy: -51.855
where: short stacking energy: -20.206
Base-Backbone interact. energy: -0.608
local terms energy: -55.944734
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -134.034671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.034671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.034671 (E_RNA)
where:
Base-Base interactions energy: -74.703
where: short stacking energy: -16.169
Base-Backbone interact. energy: -0.134
local terms energy: -59.197182
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -98.812141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.812141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.812141 (E_RNA)
where:
Base-Base interactions energy: -52.203
where: short stacking energy: -32.627
Base-Backbone interact. energy: 1.608
local terms energy: -48.217166
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -301.160106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.160106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.160106 (E_RNA)
where:
Base-Base interactions energy: -203.830
where: short stacking energy: -88.900
Base-Backbone interact. energy: -0.187
local terms energy: -97.142993
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -270.624051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.624051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.624051 (E_RNA)
where:
Base-Base interactions energy: -185.381
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.125
local terms energy: -85.118219
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -16.199
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -268.464987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.464987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.464987 (E_RNA)
where:
Base-Base interactions energy: -178.877
where: short stacking energy: -81.448
Base-Backbone interact. energy: -0.350
local terms energy: -89.238511
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -269.599130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.599130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.599130 (E_RNA)
where:
Base-Base interactions energy: -184.610
where: short stacking energy: -84.556
Base-Backbone interact. energy: 0.423
local terms energy: -85.411577
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -17.597
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -219.493965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.493965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.493965 (E_RNA)
where:
Base-Base interactions energy: -141.474
where: short stacking energy: -62.856
Base-Backbone interact. energy: -0.297
local terms energy: -77.723187
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -214.391391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.391391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.391391 (E_RNA)
where:
Base-Base interactions energy: -136.153
where: short stacking energy: -67.851
Base-Backbone interact. energy: 0.051
local terms energy: -78.289526
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -223.985800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.985800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.985800 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -69.499
Base-Backbone interact. energy: -0.134
local terms energy: -75.494165
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -109.724317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.724317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.724317 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -29.070
Base-Backbone interact. energy: 2.809
local terms energy: -68.901604
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -95.327590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327590 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -31.507
Base-Backbone interact. energy: 0.111
local terms energy: -61.069638
where:
bonds (distance) C4'-P energy: -6.119
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -91.998148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998148 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -32.641
Base-Backbone interact. energy: 0.355
local terms energy: -59.711421
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -311.284934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.284934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.284934 (E_RNA)
where:
Base-Base interactions energy: -208.288
where: short stacking energy: -86.473
Base-Backbone interact. energy: -0.081
local terms energy: -102.916361
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -13.324
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: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -281.293832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.293832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.293832 (E_RNA)
where:
Base-Base interactions energy: -192.852
where: short stacking energy: -79.429
Base-Backbone interact. energy: -0.085
local terms energy: -88.356545
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -14.258
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: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -278.775677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.775677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.775677 (E_RNA)
where:
Base-Base interactions energy: -192.323
where: short stacking energy: -80.334
Base-Backbone interact. energy: -0.146
local terms energy: -86.306431
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -22.251
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: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -270.379649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.379649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.379649 (E_RNA)
where:
Base-Base interactions energy: -183.328
where: short stacking energy: -82.024
Base-Backbone interact. energy: -0.005
local terms energy: -87.046495
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -224.320369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.320369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.320369 (E_RNA)
where:
Base-Base interactions energy: -157.261
where: short stacking energy: -57.541
Base-Backbone interact. energy: -0.158
local terms energy: -66.900812
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -10.275
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: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -241.481857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.481857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.481857 (E_RNA)
where:
Base-Base interactions energy: -151.319
where: short stacking energy: -75.283
Base-Backbone interact. energy: 0.364
local terms energy: -90.527217
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -26.429
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: 324
Temperature: 1.200000
Total energy: -214.689401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.689401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.689401 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.144
local terms energy: -87.720956
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -110.976091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.976091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.976091 (E_RNA)
where:
Base-Base interactions energy: -66.882
where: short stacking energy: -25.880
Base-Backbone interact. energy: 0.552
local terms energy: -44.645326
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: 2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -106.112445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.112445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.112445 (E_RNA)
where:
Base-Base interactions energy: -53.183
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.144
local terms energy: -52.784690
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -98.386418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.386418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.386418 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -22.750
Base-Backbone interact. energy: 0.104
local terms energy: -58.306372
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -300.754701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.754701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.754701 (E_RNA)
where:
Base-Base interactions energy: -206.660
where: short stacking energy: -85.679
Base-Backbone interact. energy: -0.092
local terms energy: -94.002667
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -272.813363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.813363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.813363 (E_RNA)
where:
Base-Base interactions energy: -190.758
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.142
local terms energy: -81.914036
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -21.394
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -268.009801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.009801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.009801 (E_RNA)
where:
Base-Base interactions energy: -180.967
where: short stacking energy: -76.269
Base-Backbone interact. energy: -0.122
local terms energy: -86.921117
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -298.797786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.797786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.797786 (E_RNA)
where:
Base-Base interactions energy: -201.397
where: short stacking energy: -90.338
Base-Backbone interact. energy: -0.057
local terms energy: -97.343471
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.316
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: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -230.408807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.408807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.408807 (E_RNA)
where:
Base-Base interactions energy: -154.849
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.280
local terms energy: -75.279322
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -213.179930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.179930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.179930 (E_RNA)
where:
Base-Base interactions energy: -131.342
where: short stacking energy: -51.247
Base-Backbone interact. energy: -0.190
local terms energy: -81.647870
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -12.542
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -212.363063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.363063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.363063 (E_RNA)
where:
Base-Base interactions energy: -137.541
where: short stacking energy: -56.684
Base-Backbone interact. energy: -1.662
local terms energy: -73.160182
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -115.850093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.850093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.850093 (E_RNA)
where:
Base-Base interactions energy: -44.563
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.321
local terms energy: -70.966325
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -110.275206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.275206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.275206 (E_RNA)
where:
Base-Base interactions energy: -53.433
where: short stacking energy: -34.859
Base-Backbone interact. energy: 1.294
local terms energy: -58.136278
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -6.274
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: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -96.610438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.610438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.610438 (E_RNA)
where:
Base-Base interactions energy: -30.065
where: short stacking energy: -16.387
Base-Backbone interact. energy: -0.725
local terms energy: -65.820570
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: 2.059
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: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -305.327933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.327933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.327933 (E_RNA)
where:
Base-Base interactions energy: -206.864
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.090
local terms energy: -98.373505
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -28.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -274.777433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.777433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.777433 (E_RNA)
where:
Base-Base interactions energy: -177.962
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.833
local terms energy: -95.982840
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -271.672643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.672643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.672643 (E_RNA)
where:
Base-Base interactions energy: -189.969
where: short stacking energy: -76.798
Base-Backbone interact. energy: -0.707
local terms energy: -80.996337
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.868
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: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -271.024777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.024777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.024777 (E_RNA)
where:
Base-Base interactions energy: -172.374
where: short stacking energy: -86.265
Base-Backbone interact. energy: -0.005
local terms energy: -98.645327
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -230.647802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.647802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.647802 (E_RNA)
where:
Base-Base interactions energy: -152.122
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.682
local terms energy: -77.843736
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -224.674426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.674426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.674426 (E_RNA)
where:
Base-Base interactions energy: -141.688
where: short stacking energy: -71.441
Base-Backbone interact. energy: -0.115
local terms energy: -82.872230
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -227.016946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.016946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.016946 (E_RNA)
where:
Base-Base interactions energy: -147.202
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.973
local terms energy: -78.841847
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -17.216
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: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -126.524253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.524253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.524253 (E_RNA)
where:
Base-Base interactions energy: -71.248
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.054
local terms energy: -55.222075
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -109.960884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.960884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.960884 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -39.380
Base-Backbone interact. energy: -0.148
local terms energy: -66.484302
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -91.786868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.786868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.786868 (E_RNA)
where:
Base-Base interactions energy: -45.771
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.204
local terms energy: -45.811974
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -2.967
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -305.946386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.946386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.946386 (E_RNA)
where:
Base-Base interactions energy: -207.635
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.054
local terms energy: -98.258195
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -284.426041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.426041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.426041 (E_RNA)
where:
Base-Base interactions energy: -192.780
where: short stacking energy: -72.308
Base-Backbone interact. energy: -0.946
local terms energy: -90.700505
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -269.577659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.577659 (E_RNA)
where:
Base-Base interactions energy: -179.288
where: short stacking energy: -78.352
Base-Backbone interact. energy: -0.156
local terms energy: -90.133749
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -220.904338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.904338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.904338 (E_RNA)
where:
Base-Base interactions energy: -141.299
where: short stacking energy: -66.618
Base-Backbone interact. energy: -0.108
local terms energy: -79.497549
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -239.162687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.162687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.162687 (E_RNA)
where:
Base-Base interactions energy: -167.907
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.550
local terms energy: -70.705673
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -13.326
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: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -225.406548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.406548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406548 (E_RNA)
where:
Base-Base interactions energy: -144.666
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.232
local terms energy: -80.508510
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -228.237208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.237208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237208 (E_RNA)
where:
Base-Base interactions energy: -152.133
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.799
local terms energy: -75.305896
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -116.613881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.613881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.613881 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -42.896
Base-Backbone interact. energy: -0.439
local terms energy: -68.847534
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -98.268149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.268149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.268149 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.038
local terms energy: -68.256022
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -98.271390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.271390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.271390 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.338
local terms energy: -52.186240
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: 3.211
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: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -302.616179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.616179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.616179 (E_RNA)
where:
Base-Base interactions energy: -205.103
where: short stacking energy: -99.390
Base-Backbone interact. energy: -0.004
local terms energy: -97.508694
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -25.369
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: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -277.779538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.779538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.779538 (E_RNA)
where:
Base-Base interactions energy: -192.184
where: short stacking energy: -68.716
Base-Backbone interact. energy: -1.507
local terms energy: -84.089005
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -267.143650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.143650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.143650 (E_RNA)
where:
Base-Base interactions energy: -174.998
where: short stacking energy: -77.661
Base-Backbone interact. energy: -0.990
local terms energy: -91.155852
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -237.400822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.400822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.400822 (E_RNA)
where:
Base-Base interactions energy: -156.641
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.026
local terms energy: -80.733327
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -224.856508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.856508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.856508 (E_RNA)
where:
Base-Base interactions energy: -155.836
where: short stacking energy: -62.266
Base-Backbone interact. energy: -1.885
local terms energy: -67.136237
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -10.554
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: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -229.725694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.725694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.725694 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -60.066
Base-Backbone interact. energy: -0.445
local terms energy: -92.651288
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -20.769
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: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -233.740657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.740657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.740657 (E_RNA)
where:
Base-Base interactions energy: -149.210
where: short stacking energy: -57.970
Base-Backbone interact. energy: 0.546
local terms energy: -85.076327
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -13.004
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: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -127.491122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.491122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.491122 (E_RNA)
where:
Base-Base interactions energy: -51.759
where: short stacking energy: -36.863
Base-Backbone interact. energy: -0.271
local terms energy: -75.460514
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -90.129586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129586 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.705
local terms energy: -45.551246
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: 6.182
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -95.309284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.309284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.309284 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.512
local terms energy: -57.778240
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -304.889279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.889279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.889279 (E_RNA)
where:
Base-Base interactions energy: -206.254
where: short stacking energy: -99.716
Base-Backbone interact. energy: -0.013
local terms energy: -98.621991
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -27.533
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -278.621534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.621534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.621534 (E_RNA)
where:
Base-Base interactions energy: -193.856
where: short stacking energy: -69.206
Base-Backbone interact. energy: -0.964
local terms energy: -83.801400
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -17.482
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: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -256.564007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.564007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.564007 (E_RNA)
where:
Base-Base interactions energy: -170.081
where: short stacking energy: -79.154
Base-Backbone interact. energy: -0.100
local terms energy: -86.383003
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -243.004931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.004931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.004931 (E_RNA)
where:
Base-Base interactions energy: -160.378
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.340
local terms energy: -82.286897
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -248.665975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.665975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.665975 (E_RNA)
where:
Base-Base interactions energy: -169.511
where: short stacking energy: -65.579
Base-Backbone interact. energy: 0.216
local terms energy: -79.371171
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -206.113873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.113873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.113873 (E_RNA)
where:
Base-Base interactions energy: -135.135
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.253
local terms energy: -70.725694
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -219.822627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.822627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.822627 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.019
local terms energy: -77.362481
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -20.803
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: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -116.920506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.920506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.920506 (E_RNA)
where:
Base-Base interactions energy: -49.231
where: short stacking energy: -35.601
Base-Backbone interact. energy: -1.591
local terms energy: -66.098115
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -12.013
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: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -96.646023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.646023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.646023 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.769
local terms energy: -64.592847
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: 4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -97.666959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666959 (E_RNA)
where:
Base-Base interactions energy: -34.286
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.051
local terms energy: -63.329355
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -10.283
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: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -298.465487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.465487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.465487 (E_RNA)
where:
Base-Base interactions energy: -198.005
where: short stacking energy: -88.619
Base-Backbone interact. energy: -0.142
local terms energy: -100.318665
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -27.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -286.696224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.696224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.696224 (E_RNA)
where:
Base-Base interactions energy: -194.825
where: short stacking energy: -72.283
Base-Backbone interact. energy: 0.413
local terms energy: -92.283438
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -16.936
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: 330
Temperature: 1.000000
Total energy: -266.873278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.873278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.873278 (E_RNA)
where:
Base-Base interactions energy: -178.384
where: short stacking energy: -74.527
Base-Backbone interact. energy: -0.169
local terms energy: -88.320160
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -18.167
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: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -222.869536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.869536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.869536 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.306
local terms energy: -86.515418
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -252.104457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.104457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.104457 (E_RNA)
where:
Base-Base interactions energy: -148.709
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.135
local terms energy: -103.260027
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -213.320733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320733 (E_RNA)
where:
Base-Base interactions energy: -134.492
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.018
local terms energy: -78.811551
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -250.502089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.502089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.502089 (E_RNA)
where:
Base-Base interactions energy: -173.239
where: short stacking energy: -76.657
Base-Backbone interact. energy: -0.086
local terms energy: -77.177203
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.738
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: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -121.207402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.207402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.207402 (E_RNA)
where:
Base-Base interactions energy: -49.518
where: short stacking energy: -23.450
Base-Backbone interact. energy: 1.695
local terms energy: -73.384622
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -9.085
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: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -88.418712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.418712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.418712 (E_RNA)
where:
Base-Base interactions energy: -31.130
where: short stacking energy: -21.376
Base-Backbone interact. energy: -0.633
local terms energy: -56.655394
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -84.652408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.652408 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -31.285
Base-Backbone interact. energy: -0.153
local terms energy: -47.484676
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -299.431284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.431284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.431284 (E_RNA)
where:
Base-Base interactions energy: -203.870
where: short stacking energy: -84.281
Base-Backbone interact. energy: -0.094
local terms energy: -95.467932
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -23.127
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: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -288.458862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.458862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.458862 (E_RNA)
where:
Base-Base interactions energy: -194.738
where: short stacking energy: -87.619
Base-Backbone interact. energy: -0.771
local terms energy: -92.950362
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -271.630526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.630526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.630526 (E_RNA)
where:
Base-Base interactions energy: -182.945
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.367
local terms energy: -88.318569
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -255.450677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.450677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.450677 (E_RNA)
where:
Base-Base interactions energy: -160.517
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.356
local terms energy: -94.577766
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -18.479
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: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -244.117341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.117341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.117341 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -67.936
Base-Backbone interact. energy: 1.522
local terms energy: -76.936663
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -14.381
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: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -220.517653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.517653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.517653 (E_RNA)
where:
Base-Base interactions energy: -134.320
where: short stacking energy: -65.966
Base-Backbone interact. energy: 1.436
local terms energy: -87.633389
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -220.611838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.611838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.611838 (E_RNA)
where:
Base-Base interactions energy: -146.135
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.493
local terms energy: -73.983636
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -104.396266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.396266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.396266 (E_RNA)
where:
Base-Base interactions energy: -42.650
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.022
local terms energy: -61.724621
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -125.925565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.925565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.925565 (E_RNA)
where:
Base-Base interactions energy: -51.660
where: short stacking energy: -41.816
Base-Backbone interact. energy: -0.129
local terms energy: -74.137035
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -100.855101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.855101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.855101 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -25.105
Base-Backbone interact. energy: -0.721
local terms energy: -60.523906
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -291.559542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.559542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.559542 (E_RNA)
where:
Base-Base interactions energy: -199.503
where: short stacking energy: -85.002
Base-Backbone interact. energy: -0.270
local terms energy: -91.786089
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -293.319794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.319794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.319794 (E_RNA)
where:
Base-Base interactions energy: -191.181
where: short stacking energy: -80.728
Base-Backbone interact. energy: -0.142
local terms energy: -101.996978
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -15.576
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: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -282.374900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.374900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.374900 (E_RNA)
where:
Base-Base interactions energy: -190.622
where: short stacking energy: -81.562
Base-Backbone interact. energy: -0.042
local terms energy: -91.711049
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -28.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -270.725053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.725053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.725053 (E_RNA)
where:
Base-Base interactions energy: -188.196
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.599
local terms energy: -81.930334
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -14.112
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: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -217.144564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.144564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.144564 (E_RNA)
where:
Base-Base interactions energy: -129.897
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.554
local terms energy: -86.693854
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -204.893776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893776 (E_RNA)
where:
Base-Base interactions energy: -127.528
where: short stacking energy: -57.742
Base-Backbone interact. energy: -0.034
local terms energy: -77.331658
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -240.131800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.131800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.131800 (E_RNA)
where:
Base-Base interactions energy: -150.772
where: short stacking energy: -75.669
Base-Backbone interact. energy: -0.111
local terms energy: -89.249357
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -98.913094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.913094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.913094 (E_RNA)
where:
Base-Base interactions energy: -32.150
where: short stacking energy: -32.150
Base-Backbone interact. energy: -0.037
local terms energy: -66.725808
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -105.006778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.006778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.006778 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.034
local terms energy: -61.973709
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -88.057180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057180 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -22.093
Base-Backbone interact. energy: -0.247
local terms energy: -54.316568
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -285.800513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.800513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.800513 (E_RNA)
where:
Base-Base interactions energy: -197.069
where: short stacking energy: -82.745
Base-Backbone interact. energy: 0.673
local terms energy: -89.404053
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -23.093
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: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -294.733140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.733140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.733140 (E_RNA)
where:
Base-Base interactions energy: -195.924
where: short stacking energy: -87.380
Base-Backbone interact. energy: -0.304
local terms energy: -98.505382
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -28.547
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -292.390808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.390808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.390808 (E_RNA)
where:
Base-Base interactions energy: -195.246
where: short stacking energy: -93.106
Base-Backbone interact. energy: -0.182
local terms energy: -96.962852
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -24.575
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -264.200774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.200774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.200774 (E_RNA)
where:
Base-Base interactions energy: -177.802
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.210
local terms energy: -86.188886
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -219.194291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.194291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.194291 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.009
local terms energy: -81.584840
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -183.632455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.632455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.632455 (E_RNA)
where:
Base-Base interactions energy: -110.248
where: short stacking energy: -54.657
Base-Backbone interact. energy: 0.603
local terms energy: -73.987129
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -11.335
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: 333
Temperature: 1.200000
Total energy: -199.836026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.836026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.836026 (E_RNA)
where:
Base-Base interactions energy: -119.015
where: short stacking energy: -52.523
Base-Backbone interact. energy: -1.854
local terms energy: -78.966552
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -11.747
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: 333
Temperature: 1.250000
Total energy: -128.884982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.884982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.884982 (E_RNA)
where:
Base-Base interactions energy: -78.782
where: short stacking energy: -50.570
Base-Backbone interact. energy: 0.059
local terms energy: -50.162167
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -3.142
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -96.779132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.779132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.779132 (E_RNA)
where:
Base-Base interactions energy: -27.822
where: short stacking energy: -24.043
Base-Backbone interact. energy: -2.108
local terms energy: -66.849017
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -129.784303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.784303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.784303 (E_RNA)
where:
Base-Base interactions energy: -66.594
where: short stacking energy: -33.642
Base-Backbone interact. energy: -0.156
local terms energy: -63.034817
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -1.043
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -300.943062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.943062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.943062 (E_RNA)
where:
Base-Base interactions energy: -200.890
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.016
local terms energy: -100.036284
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -29.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -278.276695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.276695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.276695 (E_RNA)
where:
Base-Base interactions energy: -191.729
where: short stacking energy: -83.568
Base-Backbone interact. energy: -0.078
local terms energy: -86.470029
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -275.124119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.124119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.124119 (E_RNA)
where:
Base-Base interactions energy: -175.695
where: short stacking energy: -86.723
Base-Backbone interact. energy: -1.781
local terms energy: -97.647317
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -26.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -253.273109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.273109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.273109 (E_RNA)
where:
Base-Base interactions energy: -162.953
where: short stacking energy: -63.495
Base-Backbone interact. energy: -1.076
local terms energy: -89.243468
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -258.018015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.018015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.018015 (E_RNA)
where:
Base-Base interactions energy: -159.805
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.044
local terms energy: -98.169007
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -228.052477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052477 (E_RNA)
where:
Base-Base interactions energy: -152.961
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.390
local terms energy: -74.701014
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -227.487088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.487088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.487088 (E_RNA)
where:
Base-Base interactions energy: -147.851
where: short stacking energy: -73.274
Base-Backbone interact. energy: 2.158
local terms energy: -81.793950
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -6.036
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: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -123.024105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.024105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.024105 (E_RNA)
where:
Base-Base interactions energy: -67.159
where: short stacking energy: -37.566
Base-Backbone interact. energy: -0.306
local terms energy: -55.558317
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: 2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -110.642324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.642324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.642324 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -19.357
Base-Backbone interact. energy: -1.156
local terms energy: -61.953582
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -88.733331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.733331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.733331 (E_RNA)
where:
Base-Base interactions energy: -28.966
where: short stacking energy: -24.711
Base-Backbone interact. energy: 0.586
local terms energy: -60.353362
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -306.873786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.873786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.873786 (E_RNA)
where:
Base-Base interactions energy: -206.058
where: short stacking energy: -88.975
Base-Backbone interact. energy: -0.616
local terms energy: -100.199013
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -9.698
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: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -273.854675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.854675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.854675 (E_RNA)
where:
Base-Base interactions energy: -188.347
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.053
local terms energy: -85.454422
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -26.519
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: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -281.832403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.832403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.832403 (E_RNA)
where:
Base-Base interactions energy: -195.171
where: short stacking energy: -85.592
Base-Backbone interact. energy: 0.123
local terms energy: -86.784194
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -266.858639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.858639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.858639 (E_RNA)
where:
Base-Base interactions energy: -181.002
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.622
local terms energy: -85.235258
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -21.148
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: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -245.019335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.019335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.019335 (E_RNA)
where:
Base-Base interactions energy: -166.320
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.548
local terms energy: -78.151288
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -14.344
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: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -232.001027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.001027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.001027 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.589
local terms energy: -91.578361
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -220.839821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.839821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.839821 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.294
local terms energy: -77.856454
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -12.147
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: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -106.269281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.269281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.269281 (E_RNA)
where:
Base-Base interactions energy: -53.995
where: short stacking energy: -39.994
Base-Backbone interact. energy: -0.070
local terms energy: -52.203816
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -95.788679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.788679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.788679 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -30.138
Base-Backbone interact. energy: 0.347
local terms energy: -56.525044
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -105.782192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.782192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.782192 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -40.238
Base-Backbone interact. energy: -0.134
local terms energy: -62.025333
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -7.962
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -304.076218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.076218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.076218 (E_RNA)
where:
Base-Base interactions energy: -208.350
where: short stacking energy: -92.510
Base-Backbone interact. energy: -0.299
local terms energy: -95.427547
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -28.270
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: 336
Temperature: 0.950000
Total energy: -285.987693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.987693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.987693 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.443
local terms energy: -97.137642
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -279.238034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.238034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.238034 (E_RNA)
where:
Base-Base interactions energy: -189.307
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.195
local terms energy: -89.736190
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -26.252
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: 336
Temperature: 1.050000
Total energy: -260.205173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.205173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.205173 (E_RNA)
where:
Base-Base interactions energy: -179.488
where: short stacking energy: -74.361
Base-Backbone interact. energy: 1.143
local terms energy: -81.860478
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -17.170
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: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -243.088728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.088728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.088728 (E_RNA)
where:
Base-Base interactions energy: -165.040
where: short stacking energy: -56.696
Base-Backbone interact. energy: -0.278
local terms energy: -77.771007
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -235.384309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.384309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.384309 (E_RNA)
where:
Base-Base interactions energy: -159.366
where: short stacking energy: -61.655
Base-Backbone interact. energy: -1.076
local terms energy: -74.942441
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -214.377827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.377827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.377827 (E_RNA)
where:
Base-Base interactions energy: -136.120
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.786
local terms energy: -77.471121
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -116.326627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.326627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.326627 (E_RNA)
where:
Base-Base interactions energy: -51.539
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.428
local terms energy: -64.359203
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.279
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -94.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.983452 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -28.588
Base-Backbone interact. energy: -0.283
local terms energy: -62.368898
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -100.278234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278234 (E_RNA)
where:
Base-Base interactions energy: -43.153
where: short stacking energy: -29.714
Base-Backbone interact. energy: 0.437
local terms energy: -57.562102
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -2.549
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: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -299.519816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.519816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.519816 (E_RNA)
where:
Base-Base interactions energy: -198.183
where: short stacking energy: -85.212
Base-Backbone interact. energy: -0.213
local terms energy: -101.124472
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -289.398385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.398385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.398385 (E_RNA)
where:
Base-Base interactions energy: -188.444
where: short stacking energy: -92.923
Base-Backbone interact. energy: -0.002
local terms energy: -100.952293
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -285.597863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.597863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.597863 (E_RNA)
where:
Base-Base interactions energy: -196.565
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.031
local terms energy: -89.002520
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -258.813643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.813643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.813643 (E_RNA)
where:
Base-Base interactions energy: -176.344
where: short stacking energy: -75.406
Base-Backbone interact. energy: -0.131
local terms energy: -82.338850
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -21.496
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: 337
Temperature: 1.100000
Total energy: -238.332034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.332034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.332034 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.189
local terms energy: -85.855893
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -10.546
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: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -213.835513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.835513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.835513 (E_RNA)
where:
Base-Base interactions energy: -130.844
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.222
local terms energy: -82.769308
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -200.187235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.187235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.187235 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -43.284
Base-Backbone interact. energy: 0.193
local terms energy: -66.815772
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -4.133
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -104.238171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.238171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.238171 (E_RNA)
where:
Base-Base interactions energy: -44.441
where: short stacking energy: -27.432
Base-Backbone interact. energy: 2.552
local terms energy: -62.349430
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -112.284647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.284647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.284647 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -38.843
Base-Backbone interact. energy: -0.060
local terms energy: -71.563192
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -14.737
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: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -92.066227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066227 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.399
local terms energy: -56.536207
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.978
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: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -293.035975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.035975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.035975 (E_RNA)
where:
Base-Base interactions energy: -190.353
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.045
local terms energy: -102.637305
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -22.322
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -16.185
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: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -291.826049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.826049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.826049 (E_RNA)
where:
Base-Base interactions energy: -192.402
where: short stacking energy: -90.258
Base-Backbone interact. energy: -0.884
local terms energy: -98.540479
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -15.308
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: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -278.052778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.052778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.052778 (E_RNA)
where:
Base-Base interactions energy: -186.781
where: short stacking energy: -82.834
Base-Backbone interact. energy: -0.002
local terms energy: -91.269293
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -21.736
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: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -265.229047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.229047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.229047 (E_RNA)
where:
Base-Base interactions energy: -181.181
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.325
local terms energy: -83.723351
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -227.035826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.035826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035826 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.364
local terms energy: -74.848766
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -189.051393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.051393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.051393 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.451
local terms energy: -67.132581
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -9.919
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: 338
Temperature: 1.200000
Total energy: -198.673745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.673745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.673745 (E_RNA)
where:
Base-Base interactions energy: -123.019
where: short stacking energy: -57.868
Base-Backbone interact. energy: -1.651
local terms energy: -74.003688
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -14.017
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: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -109.613542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.613542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.613542 (E_RNA)
where:
Base-Base interactions energy: -44.759
where: short stacking energy: -25.831
Base-Backbone interact. energy: -0.333
local terms energy: -64.520613
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -98.768139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.768139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.768139 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -25.441
Base-Backbone interact. energy: 0.060
local terms energy: -59.081222
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -94.475670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.475670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.475670 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.227
local terms energy: -50.662349
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: 5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -287.393361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.393361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.393361 (E_RNA)
where:
Base-Base interactions energy: -189.928
where: short stacking energy: -90.197
Base-Backbone interact. energy: -0.978
local terms energy: -96.487785
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -25.878
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: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -283.459232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.459232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.459232 (E_RNA)
where:
Base-Base interactions energy: -192.269
where: short stacking energy: -79.552
Base-Backbone interact. energy: -0.037
local terms energy: -91.154034
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -270.909535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.909535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.909535 (E_RNA)
where:
Base-Base interactions energy: -179.887
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.990
local terms energy: -90.032890
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -24.303
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: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -247.419709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.419709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.419709 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.353
local terms energy: -95.239328
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -243.157590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.157590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.157590 (E_RNA)
where:
Base-Base interactions energy: -154.962
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.164
local terms energy: -88.031279
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -188.158873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.158873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.158873 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.120
local terms energy: -67.731490
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -12.494
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: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -188.971162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.971162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.971162 (E_RNA)
where:
Base-Base interactions energy: -119.471
where: short stacking energy: -58.305
Base-Backbone interact. energy: 1.391
local terms energy: -70.891073
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -108.889608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.889608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.889608 (E_RNA)
where:
Base-Base interactions energy: -43.263
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.012
local terms energy: -65.615322
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -114.801297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.801297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.801297 (E_RNA)
where:
Base-Base interactions energy: -53.687
where: short stacking energy: -34.036
Base-Backbone interact. energy: 0.122
local terms energy: -61.236802
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -4.675
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: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -87.475133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.475133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.475133 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -31.875
Base-Backbone interact. energy: 0.027
local terms energy: -55.626481
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -10.431
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -285.792664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.792664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.792664 (E_RNA)
where:
Base-Base interactions energy: -188.057
where: short stacking energy: -84.672
Base-Backbone interact. energy: -0.014
local terms energy: -97.721556
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -288.348846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.348846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.348846 (E_RNA)
where:
Base-Base interactions energy: -204.111
where: short stacking energy: -88.574
Base-Backbone interact. energy: 0.083
local terms energy: -84.320745
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -22.988
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -266.268851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.268851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.268851 (E_RNA)
where:
Base-Base interactions energy: -180.395
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.013
local terms energy: -85.860213
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -242.028536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.028536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.028536 (E_RNA)
where:
Base-Base interactions energy: -153.438
where: short stacking energy: -80.556
Base-Backbone interact. energy: 1.343
local terms energy: -89.933414
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -230.687401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.687401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.687401 (E_RNA)
where:
Base-Base interactions energy: -146.799
where: short stacking energy: -69.050
Base-Backbone interact. energy: 0.257
local terms energy: -84.144618
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -198.727334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.727334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.727334 (E_RNA)
where:
Base-Base interactions energy: -131.642
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.074
local terms energy: -67.011305
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.592
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: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -196.381672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.381672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.381672 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -50.573
Base-Backbone interact. energy: -0.227
local terms energy: -64.029320
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -175.902966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.902966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.902966 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.112
local terms energy: -77.361733
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -105.505100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505100 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.007
local terms energy: -69.974714
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -87.262039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.262039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.262039 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -22.552
Base-Backbone interact. energy: -0.044
local terms energy: -48.736991
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: 4.368
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: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -308.409500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.409500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.409500 (E_RNA)
where:
Base-Base interactions energy: -198.689
where: short stacking energy: -95.775
Base-Backbone interact. energy: -0.771
local terms energy: -108.950229
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -13.421
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: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -292.446823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.446823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.446823 (E_RNA)
where:
Base-Base interactions energy: -192.465
where: short stacking energy: -78.474
Base-Backbone interact. energy: -0.001
local terms energy: -99.981696
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -287.874271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.874271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.874271 (E_RNA)
where:
Base-Base interactions energy: -190.414
where: short stacking energy: -81.563
Base-Backbone interact. energy: -0.364
local terms energy: -97.095774
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -22.442
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: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -254.399175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.399175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.399175 (E_RNA)
where:
Base-Base interactions energy: -157.885
where: short stacking energy: -77.923
Base-Backbone interact. energy: -0.456
local terms energy: -96.058720
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -25.509
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: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -214.161679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.161679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.161679 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.054
local terms energy: -71.477710
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -212.010225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.010225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.010225 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.256
local terms energy: -84.454149
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -19.395
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: 341
Temperature: 1.200000
Total energy: -185.935971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935971 (E_RNA)
where:
Base-Base interactions energy: -113.369
where: short stacking energy: -46.616
Base-Backbone interact. energy: -2.527
local terms energy: -70.039265
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -181.332045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.332045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.332045 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.087
local terms energy: -77.609357
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -118.999537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.999537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.999537 (E_RNA)
where:
Base-Base interactions energy: -56.935
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.155
local terms energy: -61.909413
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -93.829104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.829104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.829104 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -33.585
Base-Backbone interact. energy: -0.492
local terms energy: -59.752537
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -311.349460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.349460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.349460 (E_RNA)
where:
Base-Base interactions energy: -217.009
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.010
local terms energy: -94.330595
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -293.149813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.149813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.149813 (E_RNA)
where:
Base-Base interactions energy: -188.681
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.522
local terms energy: -103.946978
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -30.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -279.075885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.075885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.075885 (E_RNA)
where:
Base-Base interactions energy: -187.598
where: short stacking energy: -79.857
Base-Backbone interact. energy: -0.010
local terms energy: -91.467530
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -21.498
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -229.138272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.138272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.138272 (E_RNA)
where:
Base-Base interactions energy: -149.785
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.071
local terms energy: -79.282139
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.471
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -217.732760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.732760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.732760 (E_RNA)
where:
Base-Base interactions energy: -137.246
where: short stacking energy: -59.879
Base-Backbone interact. energy: -1.227
local terms energy: -79.260040
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -9.343
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -201.581023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.581023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.581023 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -62.971
Base-Backbone interact. energy: 0.552
local terms energy: -69.118575
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -195.671652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.671652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.671652 (E_RNA)
where:
Base-Base interactions energy: -127.791
where: short stacking energy: -56.095
Base-Backbone interact. energy: 0.142
local terms energy: -68.022707
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -185.357947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.357947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.357947 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -55.870
Base-Backbone interact. energy: 0.267
local terms energy: -65.741394
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -92.967720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.967720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.967720 (E_RNA)
where:
Base-Base interactions energy: -33.529
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.306
local terms energy: -59.132552
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -90.490352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.490352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.490352 (E_RNA)
where:
Base-Base interactions energy: -29.705
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.267
local terms energy: -60.517622
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -304.611197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.611197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.611197 (E_RNA)
where:
Base-Base interactions energy: -211.977
where: short stacking energy: -89.416
Base-Backbone interact. energy: -0.417
local terms energy: -92.217032
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -286.190230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.190230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.190230 (E_RNA)
where:
Base-Base interactions energy: -194.417
where: short stacking energy: -81.478
Base-Backbone interact. energy: 1.149
local terms energy: -92.922259
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -22.550
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: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -297.042625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.042625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.042625 (E_RNA)
where:
Base-Base interactions energy: -193.711
where: short stacking energy: -92.529
Base-Backbone interact. energy: -0.487
local terms energy: -102.844167
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -30.298
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -245.298688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.298688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.298688 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -77.157
Base-Backbone interact. energy: -0.005
local terms energy: -89.874316
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -250.338218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.338218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.338218 (E_RNA)
where:
Base-Base interactions energy: -168.446
where: short stacking energy: -83.338
Base-Backbone interact. energy: -0.259
local terms energy: -81.633439
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -220.051905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.051905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.051905 (E_RNA)
where:
Base-Base interactions energy: -144.201
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.096
local terms energy: -75.754683
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -201.330539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.330539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330539 (E_RNA)
where:
Base-Base interactions energy: -124.805
where: short stacking energy: -51.479
Base-Backbone interact. energy: 0.672
local terms energy: -77.197427
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -12.416
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: 343
Temperature: 1.250000
Total energy: -172.215567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215567 (E_RNA)
where:
Base-Base interactions energy: -99.898
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.146
local terms energy: -72.171049
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -99.190918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.190918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.190918 (E_RNA)
where:
Base-Base interactions energy: -46.361
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.243
local terms energy: -52.587473
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -102.451948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.451948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.451948 (E_RNA)
where:
Base-Base interactions energy: -32.072
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.052
local terms energy: -70.327821
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -6.202
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: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -282.759318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.759318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.759318 (E_RNA)
where:
Base-Base interactions energy: -193.563
where: short stacking energy: -83.401
Base-Backbone interact. energy: -0.010
local terms energy: -89.186255
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -22.200
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -299.444844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.444844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.444844 (E_RNA)
where:
Base-Base interactions energy: -199.343
where: short stacking energy: -83.085
Base-Backbone interact. energy: -0.131
local terms energy: -99.971454
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -290.687524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.687524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.687524 (E_RNA)
where:
Base-Base interactions energy: -192.547
where: short stacking energy: -92.816
Base-Backbone interact. energy: -0.320
local terms energy: -97.820854
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -28.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -251.765301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.765301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.765301 (E_RNA)
where:
Base-Base interactions energy: -163.138
where: short stacking energy: -80.452
Base-Backbone interact. energy: -0.068
local terms energy: -88.559326
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -234.741394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.741394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.741394 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.504
local terms energy: -86.399584
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -259.257662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.257662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.257662 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -87.991
Base-Backbone interact. energy: -0.013
local terms energy: -89.089830
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -27.067
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: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -204.947635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.947635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.947635 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -51.317
Base-Backbone interact. energy: 1.176
local terms energy: -54.573168
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -9.459
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -8.386
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: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -207.093772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.093772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.093772 (E_RNA)
where:
Base-Base interactions energy: -124.700
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.432
local terms energy: -81.961714
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -99.466787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.466787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.466787 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -24.457
Base-Backbone interact. energy: -0.021
local terms energy: -56.130211
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: 4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -93.888279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.888279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.888279 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.285
local terms energy: -58.260406
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -290.781165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.781165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.781165 (E_RNA)
where:
Base-Base interactions energy: -193.673
where: short stacking energy: -81.774
Base-Backbone interact. energy: -0.382
local terms energy: -96.726447
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -288.216104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.216104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.216104 (E_RNA)
where:
Base-Base interactions energy: -195.487
where: short stacking energy: -80.834
Base-Backbone interact. energy: -0.167
local terms energy: -92.561326
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -289.825481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.825481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.825481 (E_RNA)
where:
Base-Base interactions energy: -197.751
where: short stacking energy: -82.488
Base-Backbone interact. energy: -0.032
local terms energy: -92.042224
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -243.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.130617 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.037
local terms energy: -85.791085
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -258.384827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.384827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.384827 (E_RNA)
where:
Base-Base interactions energy: -172.880
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.004
local terms energy: -85.500605
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -241.263240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.263240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.263240 (E_RNA)
where:
Base-Base interactions energy: -160.011
where: short stacking energy: -80.284
Base-Backbone interact. energy: -0.966
local terms energy: -80.286703
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -186.332133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.332133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.332133 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -52.063
Base-Backbone interact. energy: 0.349
local terms energy: -71.606096
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -9.386
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: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -211.463317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.463317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.463317 (E_RNA)
where:
Base-Base interactions energy: -135.338
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.069
local terms energy: -76.056687
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -12.124
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: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -92.357286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357286 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -24.653
Base-Backbone interact. energy: 1.121
local terms energy: -56.224394
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -95.692175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.692175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.692175 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.343
local terms energy: -56.608898
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -286.372332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.372332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.372332 (E_RNA)
where:
Base-Base interactions energy: -192.374
where: short stacking energy: -86.472
Base-Backbone interact. energy: 0.109
local terms energy: -94.107843
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -291.143280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.143280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.143280 (E_RNA)
where:
Base-Base interactions energy: -194.121
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.019
local terms energy: -97.003625
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -27.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -271.514386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.514386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.514386 (E_RNA)
where:
Base-Base interactions energy: -175.529
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.127
local terms energy: -95.858373
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -280.754559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.754559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.754559 (E_RNA)
where:
Base-Base interactions energy: -184.333
where: short stacking energy: -86.562
Base-Backbone interact. energy: -3.455
local terms energy: -92.965830
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -261.564157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.564157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.564157 (E_RNA)
where:
Base-Base interactions energy: -169.946
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.814
local terms energy: -90.803793
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -262.210614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.210614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.210614 (E_RNA)
where:
Base-Base interactions energy: -173.320
where: short stacking energy: -81.521
Base-Backbone interact. energy: 0.053
local terms energy: -88.943699
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -24.868
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -224.971152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.971152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.971152 (E_RNA)
where:
Base-Base interactions energy: -148.363
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.376
local terms energy: -76.232452
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -159.166606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.166606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.166606 (E_RNA)
where:
Base-Base interactions energy: -99.900
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.413
local terms energy: -58.853655
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -98.396163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.396163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.396163 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.510
local terms energy: -57.551461
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -96.911415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.911415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.911415 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -30.225
Base-Backbone interact. energy: -0.231
local terms energy: -63.019234
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -290.549026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.549026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.549026 (E_RNA)
where:
Base-Base interactions energy: -199.613
where: short stacking energy: -85.594
Base-Backbone interact. energy: -1.107
local terms energy: -89.829161
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -24.327
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: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -291.573562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.573562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.573562 (E_RNA)
where:
Base-Base interactions energy: -190.665
where: short stacking energy: -91.408
Base-Backbone interact. energy: 0.580
local terms energy: -101.488039
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -290.435829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.435829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.435829 (E_RNA)
where:
Base-Base interactions energy: -199.641
where: short stacking energy: -82.759
Base-Backbone interact. energy: -0.034
local terms energy: -90.761263
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -27.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -299.377744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.377744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.377744 (E_RNA)
where:
Base-Base interactions energy: -209.334
where: short stacking energy: -94.869
Base-Backbone interact. energy: -0.025
local terms energy: -90.019286
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -29.994
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -231.282858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.282858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.282858 (E_RNA)
where:
Base-Base interactions energy: -147.893
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.455
local terms energy: -82.934234
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -218.906533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.906533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.906533 (E_RNA)
where:
Base-Base interactions energy: -138.583
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.277
local terms energy: -80.046821
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -207.099686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.099686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.099686 (E_RNA)
where:
Base-Base interactions energy: -140.942
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.313
local terms energy: -65.844907
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -176.347806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.347806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.347806 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -43.023
Base-Backbone interact. energy: -0.182
local terms energy: -58.788315
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -105.933569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.933569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.933569 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -25.156
Base-Backbone interact. energy: -0.224
local terms energy: -51.154007
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -7.775
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -96.949763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.949763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.949763 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.152
local terms energy: -56.891661
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -291.030806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.030806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.030806 (E_RNA)
where:
Base-Base interactions energy: -193.062
where: short stacking energy: -83.117
Base-Backbone interact. energy: -0.048
local terms energy: -97.920953
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -24.738
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: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -295.761705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.761705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.761705 (E_RNA)
where:
Base-Base interactions energy: -197.024
where: short stacking energy: -92.262
Base-Backbone interact. energy: 0.454
local terms energy: -99.191992
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -293.820005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.820005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.820005 (E_RNA)
where:
Base-Base interactions energy: -194.829
where: short stacking energy: -84.104
Base-Backbone interact. energy: -0.100
local terms energy: -98.891336
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -264.687081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.687081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.687081 (E_RNA)
where:
Base-Base interactions energy: -167.752
where: short stacking energy: -80.592
Base-Backbone interact. energy: -0.122
local terms energy: -96.812542
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -225.745285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745285 (E_RNA)
where:
Base-Base interactions energy: -151.952
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.060
local terms energy: -73.733036
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -217.053771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.053771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.053771 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.032
local terms energy: -78.760333
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -201.930118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.930118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.930118 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.132
local terms energy: -66.049015
where:
bonds (distance) C4'-P energy: -2.301
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -174.079146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.079146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.079146 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.033
local terms energy: -61.331872
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -110.873614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.873614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.873614 (E_RNA)
where:
Base-Base interactions energy: -60.162
where: short stacking energy: -28.481
Base-Backbone interact. energy: -0.435
local terms energy: -50.276519
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -2.497
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -94.018854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018854 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.533
local terms energy: -58.192697
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -296.349133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.349133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.349133 (E_RNA)
where:
Base-Base interactions energy: -196.709
where: short stacking energy: -85.738
Base-Backbone interact. energy: -1.203
local terms energy: -98.437248
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -300.296169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.296169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.296169 (E_RNA)
where:
Base-Base interactions energy: -209.456
where: short stacking energy: -82.109
Base-Backbone interact. energy: -0.560
local terms energy: -90.280423
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -283.612258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.612258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.612258 (E_RNA)
where:
Base-Base interactions energy: -181.498
where: short stacking energy: -82.746
Base-Backbone interact. energy: -0.245
local terms energy: -101.868999
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -25.773
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -272.136937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.136937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.136937 (E_RNA)
where:
Base-Base interactions energy: -181.596
where: short stacking energy: -84.905
Base-Backbone interact. energy: -0.002
local terms energy: -90.539335
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -211.984976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984976 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.749
local terms energy: -72.736934
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -224.727242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.727242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.727242 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.201
local terms energy: -82.188312
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -231.558774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558774 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.098
local terms energy: -82.501320
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -188.557346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.557346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.557346 (E_RNA)
where:
Base-Base interactions energy: -129.029
where: short stacking energy: -43.731
Base-Backbone interact. energy: -0.501
local terms energy: -59.027847
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -2.090
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: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -100.354222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.354222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.354222 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.054
local terms energy: -64.600220
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -5.793
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: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -90.984964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984964 (E_RNA)
where:
Base-Base interactions energy: -27.999
where: short stacking energy: -27.004
Base-Backbone interact. energy: 0.950
local terms energy: -63.936514
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -305.968055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.968055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.968055 (E_RNA)
where:
Base-Base interactions energy: -209.588
where: short stacking energy: -81.000
Base-Backbone interact. energy: 0.327
local terms energy: -96.706464
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -25.151
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -283.806482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.806482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.806482 (E_RNA)
where:
Base-Base interactions energy: -195.147
where: short stacking energy: -82.369
Base-Backbone interact. energy: -1.185
local terms energy: -87.474932
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -9.124
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: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -279.381072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.381072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.381072 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -92.428
Base-Backbone interact. energy: -0.003
local terms energy: -100.209610
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -14.815
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: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -282.023048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.023048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.023048 (E_RNA)
where:
Base-Base interactions energy: -183.487
where: short stacking energy: -94.609
Base-Backbone interact. energy: -0.004
local terms energy: -98.532708
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -219.523864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.523864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.523864 (E_RNA)
where:
Base-Base interactions energy: -138.967
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.513
local terms energy: -80.043639
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -11.554
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -217.622855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.622855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.622855 (E_RNA)
where:
Base-Base interactions energy: -133.378
where: short stacking energy: -62.726
Base-Backbone interact. energy: 0.403
local terms energy: -84.648032
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -222.313680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.313680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.313680 (E_RNA)
where:
Base-Base interactions energy: -139.250
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.351
local terms energy: -82.712882
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -167.717173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717173 (E_RNA)
where:
Base-Base interactions energy: -100.273
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.428
local terms energy: -67.016959
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -100.050416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.050416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.050416 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.481
local terms energy: -69.940519
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -82.016458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.016458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.016458 (E_RNA)
where:
Base-Base interactions energy: -26.480
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.786
local terms energy: -54.749799
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -299.285649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.285649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.285649 (E_RNA)
where:
Base-Base interactions energy: -209.360
where: short stacking energy: -83.318
Base-Backbone interact. energy: -0.314
local terms energy: -89.611490
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -285.719248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.719248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.719248 (E_RNA)
where:
Base-Base interactions energy: -187.186
where: short stacking energy: -90.963
Base-Backbone interact. energy: -0.529
local terms energy: -98.004796
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -14.319
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: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -282.566073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.566073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.566073 (E_RNA)
where:
Base-Base interactions energy: -191.077
where: short stacking energy: -82.707
Base-Backbone interact. energy: -0.125
local terms energy: -91.364058
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.298
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -285.455406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.455406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.455406 (E_RNA)
where:
Base-Base interactions energy: -191.252
where: short stacking energy: -87.533
Base-Backbone interact. energy: -0.850
local terms energy: -93.353207
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -211.126287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126287 (E_RNA)
where:
Base-Base interactions energy: -146.440
where: short stacking energy: -65.880
Base-Backbone interact. energy: -0.718
local terms energy: -63.967626
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -213.952930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.952930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.952930 (E_RNA)
where:
Base-Base interactions energy: -138.942
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.254
local terms energy: -74.756938
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -5.582
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: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -227.529468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.529468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.529468 (E_RNA)
where:
Base-Base interactions energy: -144.266
where: short stacking energy: -66.204
Base-Backbone interact. energy: -1.431
local terms energy: -81.832577
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -18.651
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: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -180.397865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397865 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -49.325
Base-Backbone interact. energy: -1.394
local terms energy: -60.594334
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -5.594
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: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -102.638175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638175 (E_RNA)
where:
Base-Base interactions energy: -44.944
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.194
local terms energy: -57.500286
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -87.825710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.825710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.825710 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -21.256
Base-Backbone interact. energy: -0.088
local terms energy: -60.337848
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -287.408198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.408198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.408198 (E_RNA)
where:
Base-Base interactions energy: -186.989
where: short stacking energy: -89.366
Base-Backbone interact. energy: -0.091
local terms energy: -100.328997
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -287.360242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.360242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.360242 (E_RNA)
where:
Base-Base interactions energy: -184.946
where: short stacking energy: -94.126
Base-Backbone interact. energy: -0.063
local terms energy: -102.351340
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -27.224
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: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -287.661237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.661237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.661237 (E_RNA)
where:
Base-Base interactions energy: -194.818
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.026
local terms energy: -92.816925
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -23.262
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: 352
Temperature: 1.050000
Total energy: -273.135417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.135417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.135417 (E_RNA)
where:
Base-Base interactions energy: -190.826
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.104
local terms energy: -82.205988
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -219.757855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.757855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.757855 (E_RNA)
where:
Base-Base interactions energy: -146.539
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.169
local terms energy: -73.050206
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -191.941507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941507 (E_RNA)
where:
Base-Base interactions energy: -116.999
where: short stacking energy: -49.043
Base-Backbone interact. energy: -0.500
local terms energy: -74.442238
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -163.906957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.906957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.906957 (E_RNA)
where:
Base-Base interactions energy: -101.028
where: short stacking energy: -50.606
Base-Backbone interact. energy: -0.105
local terms energy: -62.774748
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.705
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: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -205.173891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.173891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.173891 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -48.630
Base-Backbone interact. energy: -0.178
local terms energy: -64.410850
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -13.137
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: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -107.391734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.391734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.391734 (E_RNA)
where:
Base-Base interactions energy: -51.130
where: short stacking energy: -26.101
Base-Backbone interact. energy: 0.738
local terms energy: -56.999517
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -92.125775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.125775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.125775 (E_RNA)
where:
Base-Base interactions energy: -27.073
where: short stacking energy: -20.666
Base-Backbone interact. energy: -0.131
local terms energy: -64.921776
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -295.345540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.345540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.345540 (E_RNA)
where:
Base-Base interactions energy: -196.881
where: short stacking energy: -92.942
Base-Backbone interact. energy: -0.917
local terms energy: -97.547330
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -292.645857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.645857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.645857 (E_RNA)
where:
Base-Base interactions energy: -192.589
where: short stacking energy: -86.958
Base-Backbone interact. energy: -0.014
local terms energy: -100.042274
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -286.890092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.890092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.890092 (E_RNA)
where:
Base-Base interactions energy: -192.024
where: short stacking energy: -97.804
Base-Backbone interact. energy: -0.295
local terms energy: -94.571002
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -231.425675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.425675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.425675 (E_RNA)
where:
Base-Base interactions energy: -147.970
where: short stacking energy: -55.778
Base-Backbone interact. energy: -0.296
local terms energy: -83.159276
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -260.420621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.420621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.420621 (E_RNA)
where:
Base-Base interactions energy: -179.984
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.125
local terms energy: -80.311374
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -14.045
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: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -186.621328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.621328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.621328 (E_RNA)
where:
Base-Base interactions energy: -110.641
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.223
local terms energy: -75.756881
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -16.216
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: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -153.928289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.928289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.928289 (E_RNA)
where:
Base-Base interactions energy: -90.903
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.337
local terms energy: -62.688145
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -8.621
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: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -192.244215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.244215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.244215 (E_RNA)
where:
Base-Base interactions energy: -121.420
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.259
local terms energy: -70.564419
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -10.988
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: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -109.137404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.137404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.137404 (E_RNA)
where:
Base-Base interactions energy: -47.394
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.073
local terms energy: -61.669639
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -101.002830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.002830 (E_RNA)
where:
Base-Base interactions energy: -37.281
where: short stacking energy: -34.527
Base-Backbone interact. energy: -0.076
local terms energy: -63.645538
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -289.336912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.336912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.336912 (E_RNA)
where:
Base-Base interactions energy: -193.761
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.316
local terms energy: -95.259593
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -293.551130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.551130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.551130 (E_RNA)
where:
Base-Base interactions energy: -196.581
where: short stacking energy: -83.765
Base-Backbone interact. energy: -0.022
local terms energy: -96.947734
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -23.915
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: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -286.335459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.335459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.335459 (E_RNA)
where:
Base-Base interactions energy: -184.610
where: short stacking energy: -84.073
Base-Backbone interact. energy: -0.793
local terms energy: -100.933093
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -28.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -226.842986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.842986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.842986 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.143
local terms energy: -72.877666
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -246.164515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.164515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.164515 (E_RNA)
where:
Base-Base interactions energy: -163.141
where: short stacking energy: -63.698
Base-Backbone interact. energy: 1.055
local terms energy: -84.079024
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -193.874020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.874020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.874020 (E_RNA)
where:
Base-Base interactions energy: -113.125
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.086
local terms energy: -80.662399
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -192.822959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.822959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.822959 (E_RNA)
where:
Base-Base interactions energy: -115.020
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.166
local terms energy: -77.636967
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -14.438
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -159.717874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.717874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717874 (E_RNA)
where:
Base-Base interactions energy: -95.329
where: short stacking energy: -42.511
Base-Backbone interact. energy: -0.657
local terms energy: -63.732062
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -103.245372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.245372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.245372 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -36.369
Base-Backbone interact. energy: 0.262
local terms energy: -67.139278
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -88.593418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593418 (E_RNA)
where:
Base-Base interactions energy: -27.158
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.360
local terms energy: -61.075495
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: 7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -304.670700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.670700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.670700 (E_RNA)
where:
Base-Base interactions energy: -204.059
where: short stacking energy: -85.348
Base-Backbone interact. energy: -0.010
local terms energy: -100.601928
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -27.693
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: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -302.466853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.466853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.466853 (E_RNA)
where:
Base-Base interactions energy: -212.168
where: short stacking energy: -88.173
Base-Backbone interact. energy: -0.002
local terms energy: -90.296913
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -24.199
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -272.467355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.467355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.467355 (E_RNA)
where:
Base-Base interactions energy: -184.907
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.117
local terms energy: -87.442556
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -251.083969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.083969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.083969 (E_RNA)
where:
Base-Base interactions energy: -168.677
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.039
local terms energy: -82.368227
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -16.291
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -213.117751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.117751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.117751 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -71.202
Base-Backbone interact. energy: -0.294
local terms energy: -78.285304
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -184.126660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.126660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.126660 (E_RNA)
where:
Base-Base interactions energy: -109.761
where: short stacking energy: -53.314
Base-Backbone interact. energy: -0.491
local terms energy: -73.874412
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -202.582398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.582398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.582398 (E_RNA)
where:
Base-Base interactions energy: -129.532
where: short stacking energy: -61.724
Base-Backbone interact. energy: -0.328
local terms energy: -72.723048
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -8.934
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: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -132.421567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.421567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.421567 (E_RNA)
where:
Base-Base interactions energy: -63.702
where: short stacking energy: -46.211
Base-Backbone interact. energy: 0.082
local terms energy: -68.801349
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -14.523
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -189.812387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.812387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.812387 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -47.494
Base-Backbone interact. energy: 4.179
local terms energy: -68.029833
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -9.846
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: 355
Temperature: 1.350000
Total energy: -91.576861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576861 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -25.819
Base-Backbone interact. energy: -0.816
local terms energy: -61.950447
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -297.126569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.126569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.126569 (E_RNA)
where:
Base-Base interactions energy: -199.216
where: short stacking energy: -81.627
Base-Backbone interact. energy: 0.742
local terms energy: -98.652253
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -298.182613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.182613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.182613 (E_RNA)
where:
Base-Base interactions energy: -201.485
where: short stacking energy: -80.445
Base-Backbone interact. energy: 0.051
local terms energy: -96.749175
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -281.367628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.367628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.367628 (E_RNA)
where:
Base-Base interactions energy: -182.814
where: short stacking energy: -77.985
Base-Backbone interact. energy: -0.859
local terms energy: -97.694651
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -12.526
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -267.837633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.837633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.837633 (E_RNA)
where:
Base-Base interactions energy: -181.321
where: short stacking energy: -75.987
Base-Backbone interact. energy: 0.869
local terms energy: -87.385846
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -203.083991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.083991 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.121
local terms energy: -75.307438
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -13.073
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -213.781597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.781597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.781597 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -64.715
Base-Backbone interact. energy: 0.196
local terms energy: -78.072366
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -17.679
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: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -216.690159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.690159 (E_RNA)
where:
Base-Base interactions energy: -144.019
where: short stacking energy: -62.657
Base-Backbone interact. energy: -0.282
local terms energy: -72.389750
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -120.359273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.359273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.359273 (E_RNA)
where:
Base-Base interactions energy: -51.328
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.260
local terms energy: -68.771543
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -211.671349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.671349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.671349 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -55.925
Base-Backbone interact. energy: 0.577
local terms energy: -82.460670
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -92.938188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.938188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.938188 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.758
local terms energy: -51.484966
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: 3.996
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: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -287.805526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.805526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.805526 (E_RNA)
where:
Base-Base interactions energy: -193.849
where: short stacking energy: -83.219
Base-Backbone interact. energy: -0.878
local terms energy: -93.078692
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -310.470418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.470418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.470418 (E_RNA)
where:
Base-Base interactions energy: -210.858
where: short stacking energy: -87.524
Base-Backbone interact. energy: -0.013
local terms energy: -99.600192
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -24.695
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -268.622231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.622231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.622231 (E_RNA)
where:
Base-Base interactions energy: -181.214
where: short stacking energy: -81.412
Base-Backbone interact. energy: -0.045
local terms energy: -87.362678
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -261.905821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.905821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.905821 (E_RNA)
where:
Base-Base interactions energy: -178.032
where: short stacking energy: -75.868
Base-Backbone interact. energy: -0.206
local terms energy: -83.668216
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -222.121363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.121363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.121363 (E_RNA)
where:
Base-Base interactions energy: -138.511
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.198
local terms energy: -83.412952
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -228.324332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.324332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.324332 (E_RNA)
where:
Base-Base interactions energy: -144.226
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.108
local terms energy: -83.990822
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -213.368067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.368067 (E_RNA)
where:
Base-Base interactions energy: -131.289
where: short stacking energy: -58.375
Base-Backbone interact. energy: 0.460
local terms energy: -82.539627
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -203.587734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.587734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587734 (E_RNA)
where:
Base-Base interactions energy: -128.905
where: short stacking energy: -63.959
Base-Backbone interact. energy: -0.322
local terms energy: -74.360664
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.856
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: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -95.961809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.961809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.961809 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -28.177
Base-Backbone interact. energy: -0.022
local terms energy: -67.763276
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -94.348333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.348333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.348333 (E_RNA)
where:
Base-Base interactions energy: -31.089
where: short stacking energy: -22.160
Base-Backbone interact. energy: -1.010
local terms energy: -62.249677
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -6.319
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: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -311.374597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.374597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.374597 (E_RNA)
where:
Base-Base interactions energy: -207.419
where: short stacking energy: -83.366
Base-Backbone interact. energy: -0.001
local terms energy: -103.954582
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -291.992274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.992274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.992274 (E_RNA)
where:
Base-Base interactions energy: -198.907
where: short stacking energy: -81.897
Base-Backbone interact. energy: 0.508
local terms energy: -93.593346
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -14.553
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: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -278.801404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.801404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.801404 (E_RNA)
where:
Base-Base interactions energy: -186.174
where: short stacking energy: -80.823
Base-Backbone interact. energy: -1.713
local terms energy: -90.913754
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -272.797175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.797175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.797175 (E_RNA)
where:
Base-Base interactions energy: -180.277
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.130
local terms energy: -92.390143
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -223.867966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867966 (E_RNA)
where:
Base-Base interactions energy: -145.922
where: short stacking energy: -56.937
Base-Backbone interact. energy: -0.515
local terms energy: -77.431366
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -203.494155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.494155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.494155 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.363
local terms energy: -79.956513
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -209.959579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959579 (E_RNA)
where:
Base-Base interactions energy: -133.156
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.256
local terms energy: -76.547953
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -212.999763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.999763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.999763 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.172
local terms energy: -75.288336
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -89.657117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657117 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -28.540
Base-Backbone interact. energy: 0.045
local terms energy: -54.478246
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -1.983
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: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -93.542417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542417 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -22.829
Base-Backbone interact. energy: 0.077
local terms energy: -58.251961
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -8.323
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: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -312.740347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.740347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.740347 (E_RNA)
where:
Base-Base interactions energy: -215.983
where: short stacking energy: -82.064
Base-Backbone interact. energy: -0.056
local terms energy: -96.701764
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -26.083
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: 359
Temperature: 0.950000
Total energy: -281.742235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.742235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.742235 (E_RNA)
where:
Base-Base interactions energy: -192.771
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.007
local terms energy: -88.963771
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -291.610975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.610975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.610975 (E_RNA)
where:
Base-Base interactions energy: -197.488
where: short stacking energy: -79.855
Base-Backbone interact. energy: 1.723
local terms energy: -95.846202
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -252.583330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.583330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.583330 (E_RNA)
where:
Base-Base interactions energy: -156.022
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.207
local terms energy: -96.354477
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -216.842791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842791 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.066
local terms energy: -80.079799
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -19.268
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: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -213.875432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.875432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.875432 (E_RNA)
where:
Base-Base interactions energy: -137.468
where: short stacking energy: -62.016
Base-Backbone interact. energy: -1.860
local terms energy: -74.547560
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -221.097783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097783 (E_RNA)
where:
Base-Base interactions energy: -135.562
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.571
local terms energy: -84.964247
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -194.085556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.085556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.085556 (E_RNA)
where:
Base-Base interactions energy: -128.281
where: short stacking energy: -62.442
Base-Backbone interact. energy: 1.592
local terms energy: -67.395746
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -104.044400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.044400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.044400 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.105
local terms energy: -72.134858
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -95.466626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466626 (E_RNA)
where:
Base-Base interactions energy: -40.247
where: short stacking energy: -22.796
Base-Backbone interact. energy: 0.509
local terms energy: -55.729509
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -14.434
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: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -293.657401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.657401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.657401 (E_RNA)
where:
Base-Base interactions energy: -202.022
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.018
local terms energy: -91.617580
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -23.278
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: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -310.853759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.853759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.853759 (E_RNA)
where:
Base-Base interactions energy: -209.474
where: short stacking energy: -84.840
Base-Backbone interact. energy: -0.003
local terms energy: -101.375979
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -28.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -269.318321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.318321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.318321 (E_RNA)
where:
Base-Base interactions energy: -176.354
where: short stacking energy: -76.108
Base-Backbone interact. energy: 0.353
local terms energy: -93.317068
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.781
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -261.125797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.125797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.125797 (E_RNA)
where:
Base-Base interactions energy: -170.614
where: short stacking energy: -83.350
Base-Backbone interact. energy: -0.013
local terms energy: -90.499559
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -225.199103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.199103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.199103 (E_RNA)
where:
Base-Base interactions energy: -142.845
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.007
local terms energy: -82.346396
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -228.423240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.423240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.423240 (E_RNA)
where:
Base-Base interactions energy: -155.983
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.224
local terms energy: -72.216193
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -217.390788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.390788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.390788 (E_RNA)
where:
Base-Base interactions energy: -153.274
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.501
local terms energy: -63.616179
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -201.642122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.642122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.642122 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -50.311
Base-Backbone interact. energy: -0.614
local terms energy: -76.224902
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -12.701
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: 360
Temperature: 1.300000
Total energy: -97.754206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.754206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.754206 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.096
local terms energy: -63.234819
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -84.810679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810679 (E_RNA)
where:
Base-Base interactions energy: -19.941
where: short stacking energy: -19.941
Base-Backbone interact. energy: -0.186
local terms energy: -64.684579
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -12.471
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: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -291.100146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.100146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.100146 (E_RNA)
where:
Base-Base interactions energy: -196.327
where: short stacking energy: -85.263
Base-Backbone interact. energy: -0.744
local terms energy: -94.028549
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -274.161611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.161611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.161611 (E_RNA)
where:
Base-Base interactions energy: -184.103
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.218
local terms energy: -89.839858
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -296.942623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.942623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.942623 (E_RNA)
where:
Base-Base interactions energy: -199.715
where: short stacking energy: -84.529
Base-Backbone interact. energy: -0.004
local terms energy: -97.223819
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -255.169037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.169037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.169037 (E_RNA)
where:
Base-Base interactions energy: -167.038
where: short stacking energy: -81.860
Base-Backbone interact. energy: -0.238
local terms energy: -87.892849
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -20.244
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: 361
Temperature: 1.100000
Total energy: -234.316241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.316241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.316241 (E_RNA)
where:
Base-Base interactions energy: -155.795
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.146
local terms energy: -78.375002
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -13.723
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: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -220.330477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.330477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.330477 (E_RNA)
where:
Base-Base interactions energy: -142.159
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.264
local terms energy: -77.907098
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -172.291597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.291597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.291597 (E_RNA)
where:
Base-Base interactions energy: -94.629
where: short stacking energy: -47.784
Base-Backbone interact. energy: -0.303
local terms energy: -77.360391
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -190.235052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.235052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.235052 (E_RNA)
where:
Base-Base interactions energy: -121.207
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.337
local terms energy: -68.691811
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -96.327989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.327989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.327989 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -30.071
Base-Backbone interact. energy: 0.037
local terms energy: -61.887624
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -99.696425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.696425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.696425 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.103
local terms energy: -60.184052
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -292.411634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.411634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.411634 (E_RNA)
where:
Base-Base interactions energy: -191.375
where: short stacking energy: -92.471
Base-Backbone interact. energy: -0.433
local terms energy: -100.603914
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -28.267
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -283.457107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.457107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.457107 (E_RNA)
where:
Base-Base interactions energy: -189.776
where: short stacking energy: -78.247
Base-Backbone interact. energy: -0.065
local terms energy: -93.616641
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -296.205889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.205889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.205889 (E_RNA)
where:
Base-Base interactions energy: -195.583
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.162
local terms energy: -100.461019
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -25.776
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -259.269188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.269188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.269188 (E_RNA)
where:
Base-Base interactions energy: -170.745
where: short stacking energy: -88.268
Base-Backbone interact. energy: -0.015
local terms energy: -88.508448
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -13.500
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: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -227.140864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.140864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.140864 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.304
local terms energy: -78.078806
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -11.528
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: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -232.170345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.170345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.170345 (E_RNA)
where:
Base-Base interactions energy: -136.621
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.812
local terms energy: -94.737011
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -187.133543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.133543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.133543 (E_RNA)
where:
Base-Base interactions energy: -117.142
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.235
local terms energy: -69.757027
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -11.850
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: 362
Temperature: 1.250000
Total energy: -174.683449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.683449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.683449 (E_RNA)
where:
Base-Base interactions energy: -101.571
where: short stacking energy: -43.569
Base-Backbone interact. energy: -0.897
local terms energy: -72.215455
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -105.720725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.720725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.720725 (E_RNA)
where:
Base-Base interactions energy: -48.212
where: short stacking energy: -38.175
Base-Backbone interact. energy: 0.070
local terms energy: -57.579337
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -4.285
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: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -91.655499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655499 (E_RNA)
where:
Base-Base interactions energy: -40.347
where: short stacking energy: -31.522
Base-Backbone interact. energy: -0.213
local terms energy: -51.094897
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.331
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: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -289.085058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.085058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.085058 (E_RNA)
where:
Base-Base interactions energy: -189.421
where: short stacking energy: -72.455
Base-Backbone interact. energy: -0.313
local terms energy: -99.350848
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.799
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: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -300.982899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.982899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.982899 (E_RNA)
where:
Base-Base interactions energy: -208.549
where: short stacking energy: -90.233
Base-Backbone interact. energy: -0.006
local terms energy: -92.427542
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -11.841
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: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -266.961485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.961485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.961485 (E_RNA)
where:
Base-Base interactions energy: -180.180
where: short stacking energy: -81.194
Base-Backbone interact. energy: -0.264
local terms energy: -86.517818
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -240.688008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.688008 (E_RNA)
where:
Base-Base interactions energy: -157.907
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.111
local terms energy: -82.670493
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -258.931421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.931421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.931421 (E_RNA)
where:
Base-Base interactions energy: -171.254
where: short stacking energy: -78.027
Base-Backbone interact. energy: -0.053
local terms energy: -87.624875
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -233.775584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.775584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.775584 (E_RNA)
where:
Base-Base interactions energy: -140.676
where: short stacking energy: -67.699
Base-Backbone interact. energy: 0.732
local terms energy: -93.831505
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -182.556518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.556518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.556518 (E_RNA)
where:
Base-Base interactions energy: -123.209
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.747
local terms energy: -58.601250
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -203.838717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.838717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.838717 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.020
local terms energy: -69.501724
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -10.080
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -105.069187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.069187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.069187 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -34.723
Base-Backbone interact. energy: -1.599
local terms energy: -68.569510
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -105.176482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.176482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.176482 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.945
local terms energy: -62.675894
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -8.433
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: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -300.498026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.498026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.498026 (E_RNA)
where:
Base-Base interactions energy: -204.702
where: short stacking energy: -92.460
Base-Backbone interact. energy: -0.318
local terms energy: -95.478179
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -291.751468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.751468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.751468 (E_RNA)
where:
Base-Base interactions energy: -202.816
where: short stacking energy: -88.044
Base-Backbone interact. energy: -0.263
local terms energy: -88.672470
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -24.428
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -280.165513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.165513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.165513 (E_RNA)
where:
Base-Base interactions energy: -201.006
where: short stacking energy: -80.503
Base-Backbone interact. energy: -0.036
local terms energy: -79.122808
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -268.634590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.634590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.634590 (E_RNA)
where:
Base-Base interactions energy: -183.895
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.789
local terms energy: -83.951405
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -222.779746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.779746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.779746 (E_RNA)
where:
Base-Base interactions energy: -133.282
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.039
local terms energy: -89.458469
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -222.347587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.347587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.347587 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.628
local terms energy: -86.657901
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -16.362
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: 364
Temperature: 1.200000
Total energy: -206.399143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.399143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.399143 (E_RNA)
where:
Base-Base interactions energy: -127.848
where: short stacking energy: -57.025
Base-Backbone interact. energy: -1.007
local terms energy: -77.544610
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -167.414646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.414646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.414646 (E_RNA)
where:
Base-Base interactions energy: -106.079
where: short stacking energy: -42.892
Base-Backbone interact. energy: 0.736
local terms energy: -62.072329
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -105.951839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.951839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.951839 (E_RNA)
where:
Base-Base interactions energy: -41.451
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.071
local terms energy: -64.429385
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -2.859
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: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -93.081683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081683 (E_RNA)
where:
Base-Base interactions energy: -39.134
where: short stacking energy: -19.973
Base-Backbone interact. energy: -0.225
local terms energy: -53.722506
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -304.427873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.427873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.427873 (E_RNA)
where:
Base-Base interactions energy: -197.726
where: short stacking energy: -91.187
Base-Backbone interact. energy: -0.464
local terms energy: -106.237189
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -29.742
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: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -296.377573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.377573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.377573 (E_RNA)
where:
Base-Base interactions energy: -207.416
where: short stacking energy: -80.722
Base-Backbone interact. energy: -0.012
local terms energy: -88.949447
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -15.395
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: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -281.229163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.229163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.229163 (E_RNA)
where:
Base-Base interactions energy: -184.830
where: short stacking energy: -81.638
Base-Backbone interact. energy: -0.255
local terms energy: -96.144024
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -28.254
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: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -267.175646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.175646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.175646 (E_RNA)
where:
Base-Base interactions energy: -173.663
where: short stacking energy: -76.355
Base-Backbone interact. energy: 0.270
local terms energy: -93.782375
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -22.682
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: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -213.377898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377898 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.102
local terms energy: -82.719584
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -203.136588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.136588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.136588 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.350
local terms energy: -78.420731
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -228.906389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.906389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.906389 (E_RNA)
where:
Base-Base interactions energy: -143.004
where: short stacking energy: -57.928
Base-Backbone interact. energy: -0.109
local terms energy: -85.793357
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -171.843971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.843971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.843971 (E_RNA)
where:
Base-Base interactions energy: -108.733
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.182
local terms energy: -62.929049
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -97.638817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.638817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.638817 (E_RNA)
where:
Base-Base interactions energy: -48.000
where: short stacking energy: -36.107
Base-Backbone interact. energy: 0.966
local terms energy: -50.605295
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 1.466
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -116.031140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.031140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.031140 (E_RNA)
where:
Base-Base interactions energy: -63.594
where: short stacking energy: -28.440
Base-Backbone interact. energy: -0.970
local terms energy: -51.467137
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: 0.002
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: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -302.819725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.819725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.819725 (E_RNA)
where:
Base-Base interactions energy: -199.398
where: short stacking energy: -95.038
Base-Backbone interact. energy: -0.045
local terms energy: -103.377079
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -28.533
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -305.532770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.532770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.532770 (E_RNA)
where:
Base-Base interactions energy: -212.357
where: short stacking energy: -81.777
Base-Backbone interact. energy: -0.005
local terms energy: -93.171090
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -25.163
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: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -289.396056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.396056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.396056 (E_RNA)
where:
Base-Base interactions energy: -188.586
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.324
local terms energy: -100.486070
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -258.424048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.424048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.424048 (E_RNA)
where:
Base-Base interactions energy: -177.237
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.095
local terms energy: -81.091634
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.162
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -228.681932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.681932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.681932 (E_RNA)
where:
Base-Base interactions energy: -146.340
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.176
local terms energy: -82.166225
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -14.240
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: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -219.592119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.592119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592119 (E_RNA)
where:
Base-Base interactions energy: -143.847
where: short stacking energy: -69.859
Base-Backbone interact. energy: -0.210
local terms energy: -75.534905
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.720
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -220.790743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.790743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.790743 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.237
local terms energy: -73.380725
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -165.193236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.193236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.193236 (E_RNA)
where:
Base-Base interactions energy: -91.721
where: short stacking energy: -42.021
Base-Backbone interact. energy: -0.136
local terms energy: -73.336593
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -5.252
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: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -96.454589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.454589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.454589 (E_RNA)
where:
Base-Base interactions energy: -45.899
where: short stacking energy: -26.744
Base-Backbone interact. energy: -0.549
local terms energy: -50.006706
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -0.039
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: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -89.869084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.869084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.869084 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.185
local terms energy: -57.255741
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.653
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -296.057164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.057164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.057164 (E_RNA)
where:
Base-Base interactions energy: -194.604
where: short stacking energy: -91.191
Base-Backbone interact. energy: -0.053
local terms energy: -101.400918
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -28.138
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: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -287.518563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.518563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.518563 (E_RNA)
where:
Base-Base interactions energy: -182.756
where: short stacking energy: -96.820
Base-Backbone interact. energy: -1.121
local terms energy: -103.642082
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -30.129
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -297.651911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.651911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.651911 (E_RNA)
where:
Base-Base interactions energy: -200.523
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.393
local terms energy: -96.736305
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -26.354
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: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -239.940745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.940745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.940745 (E_RNA)
where:
Base-Base interactions energy: -159.345
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.179
local terms energy: -80.416612
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -229.551427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.551427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.551427 (E_RNA)
where:
Base-Base interactions energy: -147.814
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.006
local terms energy: -81.731456
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -220.485288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.485288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.485288 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.003
local terms energy: -67.937638
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -201.619474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.619474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.619474 (E_RNA)
where:
Base-Base interactions energy: -124.650
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.186
local terms energy: -76.783510
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -118.695961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.695961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.695961 (E_RNA)
where:
Base-Base interactions energy: -50.821
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.148
local terms energy: -67.727301
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -175.629438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.629438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.629438 (E_RNA)
where:
Base-Base interactions energy: -113.648
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.147
local terms energy: -61.834703
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -9.502
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: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -105.373383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.373383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.373383 (E_RNA)
where:
Base-Base interactions energy: -61.600
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.465
local terms energy: -43.309032
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: 5.343
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: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -302.488102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.488102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.488102 (E_RNA)
where:
Base-Base interactions energy: -203.022
where: short stacking energy: -94.643
Base-Backbone interact. energy: -0.002
local terms energy: -99.463332
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -26.093
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -302.626013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.626013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.626013 (E_RNA)
where:
Base-Base interactions energy: -201.715
where: short stacking energy: -87.378
Base-Backbone interact. energy: -0.430
local terms energy: -100.480925
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -8.907
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: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -295.946128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.946128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.946128 (E_RNA)
where:
Base-Base interactions energy: -206.600
where: short stacking energy: -81.364
Base-Backbone interact. energy: -0.007
local terms energy: -89.338501
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -14.141
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: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -269.754858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.754858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.754858 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.165
local terms energy: -91.783179
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -231.089599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089599 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -61.625
Base-Backbone interact. energy: -1.421
local terms energy: -78.291920
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -9.337
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: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -220.599916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599916 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.017
local terms energy: -83.116834
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -203.457153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.457153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457153 (E_RNA)
where:
Base-Base interactions energy: -121.603
where: short stacking energy: -66.162
Base-Backbone interact. energy: 0.741
local terms energy: -82.594485
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -113.911283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.911283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.911283 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.231
local terms energy: -53.120716
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -0.255
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: 368
Temperature: 1.300000
Total energy: -181.802854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.802854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.802854 (E_RNA)
where:
Base-Base interactions energy: -108.677
where: short stacking energy: -48.878
Base-Backbone interact. energy: -0.075
local terms energy: -73.050570
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -170.918388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.918388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.918388 (E_RNA)
where:
Base-Base interactions energy: -107.645
where: short stacking energy: -47.233
Base-Backbone interact. energy: 1.285
local terms energy: -64.558096
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -300.021770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.021770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.021770 (E_RNA)
where:
Base-Base interactions energy: -198.304
where: short stacking energy: -96.702
Base-Backbone interact. energy: -0.001
local terms energy: -101.717366
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -298.282772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.282772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.282772 (E_RNA)
where:
Base-Base interactions energy: -205.124
where: short stacking energy: -88.399
Base-Backbone interact. energy: -0.001
local terms energy: -93.157327
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -277.589422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.589422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.589422 (E_RNA)
where:
Base-Base interactions energy: -183.506
where: short stacking energy: -88.376
Base-Backbone interact. energy: -0.004
local terms energy: -94.079720
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -13.251
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: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -281.821436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.821436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.821436 (E_RNA)
where:
Base-Base interactions energy: -190.679
where: short stacking energy: -83.882
Base-Backbone interact. energy: -0.091
local terms energy: -91.051512
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -230.524183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.524183 (E_RNA)
where:
Base-Base interactions energy: -155.680
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.014
local terms energy: -74.830145
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -12.305
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: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -236.024643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.024643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.024643 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -78.441
Base-Backbone interact. energy: -0.493
local terms energy: -80.367830
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -188.862189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862189 (E_RNA)
where:
Base-Base interactions energy: -124.432
where: short stacking energy: -55.185
Base-Backbone interact. energy: 1.738
local terms energy: -66.168268
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -193.409175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.409175 (E_RNA)
where:
Base-Base interactions energy: -123.188
where: short stacking energy: -55.777
Base-Backbone interact. energy: 0.070
local terms energy: -70.291256
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -95.444829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.444829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.444829 (E_RNA)
where:
Base-Base interactions energy: -43.089
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.589
local terms energy: -51.766856
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -187.493374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.493374 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.094
local terms energy: -73.010458
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -9.363
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: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -301.087639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.087639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.087639 (E_RNA)
where:
Base-Base interactions energy: -201.491
where: short stacking energy: -98.584
Base-Backbone interact. energy: -0.125
local terms energy: -99.471121
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -298.812399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.812399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.812399 (E_RNA)
where:
Base-Base interactions energy: -207.216
where: short stacking energy: -88.574
Base-Backbone interact. energy: -0.011
local terms energy: -91.585196
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -279.077759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.077759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.077759 (E_RNA)
where:
Base-Base interactions energy: -191.599
where: short stacking energy: -83.365
Base-Backbone interact. energy: -0.062
local terms energy: -87.416768
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -23.538
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: 370
Temperature: 1.050000
Total energy: -268.478311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.478311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.478311 (E_RNA)
where:
Base-Base interactions energy: -179.850
where: short stacking energy: -82.328
Base-Backbone interact. energy: -0.064
local terms energy: -88.563817
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -269.271955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.271955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.271955 (E_RNA)
where:
Base-Base interactions energy: -176.527
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.846
local terms energy: -91.898424
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -235.738663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.738663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.738663 (E_RNA)
where:
Base-Base interactions energy: -159.164
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.099
local terms energy: -76.475289
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -203.433909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.433909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.433909 (E_RNA)
where:
Base-Base interactions energy: -135.320
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.211
local terms energy: -67.903228
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -174.176868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.176868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.176868 (E_RNA)
where:
Base-Base interactions energy: -100.307
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.293
local terms energy: -73.576665
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -14.571
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: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -190.049285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.049285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.049285 (E_RNA)
where:
Base-Base interactions energy: -113.247
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.295
local terms energy: -76.507648
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -99.679173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679173 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -17.958
Base-Backbone interact. energy: 2.730
local terms energy: -51.916592
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -295.613571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.613571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.613571 (E_RNA)
where:
Base-Base interactions energy: -193.775
where: short stacking energy: -87.818
Base-Backbone interact. energy: -0.050
local terms energy: -101.788896
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -30.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -285.945243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.945243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.945243 (E_RNA)
where:
Base-Base interactions energy: -185.981
where: short stacking energy: -81.270
Base-Backbone interact. energy: -1.333
local terms energy: -98.632112
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -296.147008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.147008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.147008 (E_RNA)
where:
Base-Base interactions energy: -203.721
where: short stacking energy: -91.391
Base-Backbone interact. energy: -0.004
local terms energy: -92.422067
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.440
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: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -284.552695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.552695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.552695 (E_RNA)
where:
Base-Base interactions energy: -184.326
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.009
local terms energy: -100.218263
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -260.767878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.767878 (E_RNA)
where:
Base-Base interactions energy: -167.697
where: short stacking energy: -85.299
Base-Backbone interact. energy: -0.666
local terms energy: -92.404443
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -26.192
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -255.971462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.971462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.971462 (E_RNA)
where:
Base-Base interactions energy: -169.254
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.174
local terms energy: -86.543406
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -208.568027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.568027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.568027 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.182
local terms energy: -75.698740
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -180.982901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.982901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.982901 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -53.794
Base-Backbone interact. energy: 2.448
local terms energy: -51.508556
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -161.101761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.101761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.101761 (E_RNA)
where:
Base-Base interactions energy: -90.822
where: short stacking energy: -38.348
Base-Backbone interact. energy: -0.316
local terms energy: -69.964000
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -8.357
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: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -100.313159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313159 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.132
local terms energy: -61.686035
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -290.260117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.260117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.260117 (E_RNA)
where:
Base-Base interactions energy: -192.674
where: short stacking energy: -83.726
Base-Backbone interact. energy: -0.012
local terms energy: -97.574501
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -25.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -291.585537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.585537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.585537 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -94.827
Base-Backbone interact. energy: -0.029
local terms energy: -100.848973
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -268.374392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.374392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.374392 (E_RNA)
where:
Base-Base interactions energy: -170.846
where: short stacking energy: -70.889
Base-Backbone interact. energy: -0.048
local terms energy: -97.480091
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -271.054792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.054792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.054792 (E_RNA)
where:
Base-Base interactions energy: -187.188
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.050
local terms energy: -83.815878
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -20.091
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -275.010822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.010822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.010822 (E_RNA)
where:
Base-Base interactions energy: -177.052
where: short stacking energy: -80.725
Base-Backbone interact. energy: -0.192
local terms energy: -97.767295
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -27.823
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -255.953473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.953473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.953473 (E_RNA)
where:
Base-Base interactions energy: -177.008
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.170
local terms energy: -78.775217
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -204.262811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.262811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.262811 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -62.123
Base-Backbone interact. energy: -1.079
local terms energy: -86.914694
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -205.850771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.850771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.850771 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.155
local terms energy: -73.573850
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -172.045233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.045233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.045233 (E_RNA)
where:
Base-Base interactions energy: -110.958
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.092
local terms energy: -60.994993
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.542604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542604 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -13.907
Base-Backbone interact. energy: -0.211
local terms energy: -61.813873
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -293.796719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.796719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.796719 (E_RNA)
where:
Base-Base interactions energy: -198.574
where: short stacking energy: -81.828
Base-Backbone interact. energy: -1.400
local terms energy: -93.822953
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -290.836485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.836485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.836485 (E_RNA)
where:
Base-Base interactions energy: -189.584
where: short stacking energy: -98.612
Base-Backbone interact. energy: -0.018
local terms energy: -101.235228
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -278.317376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.317376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.317376 (E_RNA)
where:
Base-Base interactions energy: -178.355
where: short stacking energy: -88.813
Base-Backbone interact. energy: -1.997
local terms energy: -97.965881
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -10.552
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: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -288.509419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.509419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.509419 (E_RNA)
where:
Base-Base interactions energy: -190.109
where: short stacking energy: -83.694
Base-Backbone interact. energy: -0.106
local terms energy: -98.293849
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -24.317
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: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -260.726151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.726151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.726151 (E_RNA)
where:
Base-Base interactions energy: -173.766
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.069
local terms energy: -86.891176
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -24.189
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: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -239.550892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.550892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.550892 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.525
local terms energy: -82.937363
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -209.962680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.962680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.962680 (E_RNA)
where:
Base-Base interactions energy: -127.326
where: short stacking energy: -53.745
Base-Backbone interact. energy: 0.419
local terms energy: -83.055633
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -15.519
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: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -187.124884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.124884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.124884 (E_RNA)
where:
Base-Base interactions energy: -105.034
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.032
local terms energy: -82.059073
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -9.243
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -193.948921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948921 (E_RNA)
where:
Base-Base interactions energy: -123.517
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.256
local terms energy: -70.175223
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -95.208093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.208093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.208093 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -22.363
Base-Backbone interact. energy: 4.161
local terms energy: -53.986320
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -294.979554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.979554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.979554 (E_RNA)
where:
Base-Base interactions energy: -201.265
where: short stacking energy: -89.607
Base-Backbone interact. energy: -0.010
local terms energy: -93.704791
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -21.941
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: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -293.488046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.488046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.488046 (E_RNA)
where:
Base-Base interactions energy: -199.339
where: short stacking energy: -84.533
Base-Backbone interact. energy: -1.465
local terms energy: -92.683433
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -299.449230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.449230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.449230 (E_RNA)
where:
Base-Base interactions energy: -195.808
where: short stacking energy: -96.491
Base-Backbone interact. energy: -0.000
local terms energy: -103.640814
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -27.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -275.517907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.517907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.517907 (E_RNA)
where:
Base-Base interactions energy: -181.402
where: short stacking energy: -84.064
Base-Backbone interact. energy: -0.610
local terms energy: -93.505468
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -26.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -218.061577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.061577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.061577 (E_RNA)
where:
Base-Base interactions energy: -139.489
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.112
local terms energy: -78.460611
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -259.722270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.722270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.722270 (E_RNA)
where:
Base-Base interactions energy: -178.558
where: short stacking energy: -84.445
Base-Backbone interact. energy: 0.453
local terms energy: -81.617648
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -219.627659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.627659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.627659 (E_RNA)
where:
Base-Base interactions energy: -133.730
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.001
local terms energy: -85.896695
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -24.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -200.389358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389358 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.277
local terms energy: -73.458864
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.142
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: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -170.541316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.541316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.541316 (E_RNA)
where:
Base-Base interactions energy: -105.396
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.816
local terms energy: -64.329599
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -0.988
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: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -87.693319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693319 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.446
local terms energy: -51.278514
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -296.604981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.604981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.604981 (E_RNA)
where:
Base-Base interactions energy: -198.658
where: short stacking energy: -84.771
Base-Backbone interact. energy: -0.180
local terms energy: -97.766581
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -287.559823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.559823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.559823 (E_RNA)
where:
Base-Base interactions energy: -183.582
where: short stacking energy: -88.201
Base-Backbone interact. energy: -0.711
local terms energy: -103.267578
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -283.144990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.144990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.144990 (E_RNA)
where:
Base-Base interactions energy: -187.491
where: short stacking energy: -85.966
Base-Backbone interact. energy: -0.196
local terms energy: -95.458023
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -22.560
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: 375
Temperature: 1.050000
Total energy: -267.778972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.778972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.778972 (E_RNA)
where:
Base-Base interactions energy: -185.785
where: short stacking energy: -82.316
Base-Backbone interact. energy: -0.305
local terms energy: -81.689072
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -225.447845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447845 (E_RNA)
where:
Base-Base interactions energy: -149.498
where: short stacking energy: -68.590
Base-Backbone interact. energy: -1.106
local terms energy: -74.844309
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -2.549
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -239.320219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.320219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.320219 (E_RNA)
where:
Base-Base interactions energy: -157.147
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.278
local terms energy: -81.895217
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -230.626372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.626372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.626372 (E_RNA)
where:
Base-Base interactions energy: -152.632
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.029
local terms energy: -77.965784
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -190.088189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.088189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.088189 (E_RNA)
where:
Base-Base interactions energy: -116.778
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.013
local terms energy: -73.298077
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -177.785378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.785378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.785378 (E_RNA)
where:
Base-Base interactions energy: -115.478
where: short stacking energy: -56.846
Base-Backbone interact. energy: 1.343
local terms energy: -63.650184
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -14.935
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: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -85.939062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.939062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.939062 (E_RNA)
where:
Base-Base interactions energy: -40.104
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.674
local terms energy: -45.160815
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -305.484996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.484996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.484996 (E_RNA)
where:
Base-Base interactions energy: -210.169
where: short stacking energy: -87.800
Base-Backbone interact. energy: -0.002
local terms energy: -95.313792
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -14.882
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: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -291.017341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.017341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.017341 (E_RNA)
where:
Base-Base interactions energy: -197.382
where: short stacking energy: -91.094
Base-Backbone interact. energy: -0.083
local terms energy: -93.552393
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -257.680799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.680799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.680799 (E_RNA)
where:
Base-Base interactions energy: -173.432
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.202
local terms energy: -84.046615
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -11.057
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: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -274.115240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.115240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.115240 (E_RNA)
where:
Base-Base interactions energy: -183.383
where: short stacking energy: -92.390
Base-Backbone interact. energy: -0.290
local terms energy: -90.442094
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -247.710354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.710354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.710354 (E_RNA)
where:
Base-Base interactions energy: -158.467
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.035
local terms energy: -89.207680
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -12.552
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: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -214.912809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.912809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.912809 (E_RNA)
where:
Base-Base interactions energy: -132.008
where: short stacking energy: -65.211
Base-Backbone interact. energy: 1.331
local terms energy: -84.235806
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -236.786660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.786660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.786660 (E_RNA)
where:
Base-Base interactions energy: -155.976
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.560
local terms energy: -80.250648
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -16.417
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: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -197.285457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.285457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.285457 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -42.600
Base-Backbone interact. energy: -0.302
local terms energy: -53.966748
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -4.467
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: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -157.499758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.499758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.499758 (E_RNA)
where:
Base-Base interactions energy: -95.230
where: short stacking energy: -42.163
Base-Backbone interact. energy: -0.187
local terms energy: -62.082929
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -87.417299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417299 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -35.717
Base-Backbone interact. energy: -0.127
local terms energy: -52.380670
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: 1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -294.957928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.957928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.957928 (E_RNA)
where:
Base-Base interactions energy: -205.381
where: short stacking energy: -79.494
Base-Backbone interact. energy: -0.330
local terms energy: -89.246301
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -12.451
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: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -293.038930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.038930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.038930 (E_RNA)
where:
Base-Base interactions energy: -193.226
where: short stacking energy: -92.011
Base-Backbone interact. energy: -0.157
local terms energy: -99.656226
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -30.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -253.936780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.936780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.936780 (E_RNA)
where:
Base-Base interactions energy: -170.957
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.468
local terms energy: -82.511265
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -264.773978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.773978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.773978 (E_RNA)
where:
Base-Base interactions energy: -177.469
where: short stacking energy: -80.412
Base-Backbone interact. energy: 1.299
local terms energy: -88.604302
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -11.274
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -260.725451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.725451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.725451 (E_RNA)
where:
Base-Base interactions energy: -169.165
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.572
local terms energy: -90.988992
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -217.799495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.799495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.799495 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -59.613
Base-Backbone interact. energy: 0.696
local terms energy: -86.602137
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -212.862144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862144 (E_RNA)
where:
Base-Base interactions energy: -142.619
where: short stacking energy: -68.481
Base-Backbone interact. energy: 0.593
local terms energy: -70.835835
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -182.866438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.866438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.866438 (E_RNA)
where:
Base-Base interactions energy: -108.719
where: short stacking energy: -59.636
Base-Backbone interact. energy: 0.026
local terms energy: -74.173347
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -183.061049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.061049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.061049 (E_RNA)
where:
Base-Base interactions energy: -123.787
where: short stacking energy: -36.072
Base-Backbone interact. energy: 0.154
local terms energy: -59.427678
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -100.973933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.973933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.973933 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.159
local terms energy: -64.009746
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -299.467698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.467698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.467698 (E_RNA)
where:
Base-Base interactions energy: -200.863
where: short stacking energy: -91.650
Base-Backbone interact. energy: -0.207
local terms energy: -98.398231
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -293.088819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.088819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.088819 (E_RNA)
where:
Base-Base interactions energy: -195.821
where: short stacking energy: -88.929
Base-Backbone interact. energy: -1.348
local terms energy: -95.920649
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -10.611
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: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -281.994867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.994867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.994867 (E_RNA)
where:
Base-Base interactions energy: -188.262
where: short stacking energy: -89.389
Base-Backbone interact. energy: -0.246
local terms energy: -93.486903
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -28.042
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: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -260.738046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.738046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.738046 (E_RNA)
where:
Base-Base interactions energy: -177.065
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.005
local terms energy: -83.668453
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -256.837151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.837151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.837151 (E_RNA)
where:
Base-Base interactions energy: -165.958
where: short stacking energy: -75.418
Base-Backbone interact. energy: -0.095
local terms energy: -90.784565
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -24.379
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: 378
Temperature: 1.150000
Total energy: -233.321126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.321126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.321126 (E_RNA)
where:
Base-Base interactions energy: -156.591
where: short stacking energy: -82.546
Base-Backbone interact. energy: -0.236
local terms energy: -76.494041
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -25.186
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: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -209.986771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.986771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.986771 (E_RNA)
where:
Base-Base interactions energy: -133.353
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.257
local terms energy: -76.376590
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -190.410811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.410811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.410811 (E_RNA)
where:
Base-Base interactions energy: -133.886
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.311
local terms energy: -56.213673
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -177.548999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.548999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.548999 (E_RNA)
where:
Base-Base interactions energy: -109.241
where: short stacking energy: -50.099
Base-Backbone interact. energy: -0.971
local terms energy: -67.337181
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -90.928285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928285 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -16.432
Base-Backbone interact. energy: -0.564
local terms energy: -50.028700
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -1.065
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -299.956289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.956289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.956289 (E_RNA)
where:
Base-Base interactions energy: -201.184
where: short stacking energy: -87.998
Base-Backbone interact. energy: -0.075
local terms energy: -98.696680
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -30.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -295.426097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.426097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.426097 (E_RNA)
where:
Base-Base interactions energy: -201.301
where: short stacking energy: -98.371
Base-Backbone interact. energy: -0.065
local terms energy: -94.060140
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -30.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -247.413103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.413103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.413103 (E_RNA)
where:
Base-Base interactions energy: -165.833
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.123
local terms energy: -81.457508
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -20.099
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -278.641158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.641158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.641158 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -73.696
Base-Backbone interact. energy: -0.235
local terms energy: -93.827035
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -261.387739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.387739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.387739 (E_RNA)
where:
Base-Base interactions energy: -174.621
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.527
local terms energy: -86.239117
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -215.587881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.587881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.587881 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.115
local terms energy: -78.596968
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -11.186
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: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -190.511455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.511455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.511455 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.434
local terms energy: -71.253970
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -183.803505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.803505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803505 (E_RNA)
where:
Base-Base interactions energy: -123.658
where: short stacking energy: -41.273
Base-Backbone interact. energy: -0.254
local terms energy: -59.891995
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -183.382863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382863 (E_RNA)
where:
Base-Base interactions energy: -107.289
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.607
local terms energy: -75.486059
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -7.938
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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -98.754152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.754152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.754152 (E_RNA)
where:
Base-Base interactions energy: -44.771
where: short stacking energy: -20.696
Base-Backbone interact. energy: -1.934
local terms energy: -52.049545
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: 1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -302.706389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.706389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.706389 (E_RNA)
where:
Base-Base interactions energy: -199.135
where: short stacking energy: -92.630
Base-Backbone interact. energy: -0.315
local terms energy: -103.257195
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -30.509
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -292.742650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.742650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.742650 (E_RNA)
where:
Base-Base interactions energy: -190.059
where: short stacking energy: -83.765
Base-Backbone interact. energy: -0.056
local terms energy: -102.627777
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -22.302
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -293.225362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.225362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.225362 (E_RNA)
where:
Base-Base interactions energy: -198.012
where: short stacking energy: -91.433
Base-Backbone interact. energy: -0.769
local terms energy: -94.444239
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -12.570
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: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -272.206725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.206725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.206725 (E_RNA)
where:
Base-Base interactions energy: -173.329
where: short stacking energy: -84.982
Base-Backbone interact. energy: -0.072
local terms energy: -98.805633
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -272.641283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.641283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.641283 (E_RNA)
where:
Base-Base interactions energy: -175.029
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.981
local terms energy: -96.631583
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -226.098535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.098535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.098535 (E_RNA)
where:
Base-Base interactions energy: -152.483
where: short stacking energy: -61.000
Base-Backbone interact. energy: 1.757
local terms energy: -75.372814
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -212.061022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.061022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061022 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.015
local terms energy: -80.729106
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -205.291453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.291453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.291453 (E_RNA)
where:
Base-Base interactions energy: -140.680
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.468
local terms energy: -64.144015
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -5.341
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -99.078670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078670 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.254
local terms energy: -56.562080
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -140.977096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.977096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.977096 (E_RNA)
where:
Base-Base interactions energy: -85.526
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.190
local terms energy: -55.260716
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -305.246609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.246609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.246609 (E_RNA)
where:
Base-Base interactions energy: -204.597
where: short stacking energy: -94.908
Base-Backbone interact. energy: -0.308
local terms energy: -100.341331
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -292.571291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.571291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.571291 (E_RNA)
where:
Base-Base interactions energy: -197.537
where: short stacking energy: -96.702
Base-Backbone interact. energy: -0.001
local terms energy: -95.033241
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -15.382
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: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -291.444335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.444335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.444335 (E_RNA)
where:
Base-Base interactions energy: -190.457
where: short stacking energy: -82.243
Base-Backbone interact. energy: -0.351
local terms energy: -100.635728
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -30.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -261.010490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.010490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.010490 (E_RNA)
where:
Base-Base interactions energy: -174.878
where: short stacking energy: -77.070
Base-Backbone interact. energy: -0.816
local terms energy: -85.316391
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -274.398706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.398706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.398706 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -90.977
Base-Backbone interact. energy: -0.153
local terms energy: -91.160026
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -210.421452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.421452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.421452 (E_RNA)
where:
Base-Base interactions energy: -137.376
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.181
local terms energy: -72.864544
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -245.335706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.335706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.335706 (E_RNA)
where:
Base-Base interactions energy: -161.564
where: short stacking energy: -81.089
Base-Backbone interact. energy: 0.062
local terms energy: -83.834104
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -197.303679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.303679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.303679 (E_RNA)
where:
Base-Base interactions energy: -130.209
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.069
local terms energy: -67.025660
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -9.951
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: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -126.043736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.043736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.043736 (E_RNA)
where:
Base-Base interactions energy: -65.198
where: short stacking energy: -28.263
Base-Backbone interact. energy: -0.267
local terms energy: -60.578832
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -90.495381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.495381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.495381 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.313
local terms energy: -55.470482
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -293.722130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.722130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.722130 (E_RNA)
where:
Base-Base interactions energy: -191.570
where: short stacking energy: -88.677
Base-Backbone interact. energy: -0.414
local terms energy: -101.738183
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -289.793288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.793288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.793288 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.853
local terms energy: -97.417295
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -288.473750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.473750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.473750 (E_RNA)
where:
Base-Base interactions energy: -190.374
where: short stacking energy: -93.834
Base-Backbone interact. energy: -0.169
local terms energy: -97.930428
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -26.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -247.579553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.579553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.579553 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -81.867
Base-Backbone interact. energy: -0.156
local terms energy: -86.647567
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -227.222643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.222643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.222643 (E_RNA)
where:
Base-Base interactions energy: -148.155
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.516
local terms energy: -78.551926
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -241.610712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.610712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.610712 (E_RNA)
where:
Base-Base interactions energy: -161.379
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.004
local terms energy: -80.226884
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.154
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -186.731886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.731886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.731886 (E_RNA)
where:
Base-Base interactions energy: -111.210
where: short stacking energy: -56.402
Base-Backbone interact. energy: -0.091
local terms energy: -75.430653
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -204.739565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.739565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.739565 (E_RNA)
where:
Base-Base interactions energy: -128.740
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.094
local terms energy: -75.905162
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -15.630
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -118.233468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.233468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.233468 (E_RNA)
where:
Base-Base interactions energy: -60.024
where: short stacking energy: -34.821
Base-Backbone interact. energy: -0.290
local terms energy: -57.919148
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -90.414137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414137 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -27.834
Base-Backbone interact. energy: 1.985
local terms energy: -47.713110
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -302.623633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.623633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.623633 (E_RNA)
where:
Base-Base interactions energy: -206.644
where: short stacking energy: -97.572
Base-Backbone interact. energy: -0.430
local terms energy: -95.550563
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -14.929
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: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -290.710289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.710289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.710289 (E_RNA)
where:
Base-Base interactions energy: -185.996
where: short stacking energy: -86.207
Base-Backbone interact. energy: -0.478
local terms energy: -104.235876
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -31.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -291.146872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.146872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.146872 (E_RNA)
where:
Base-Base interactions energy: -202.322
where: short stacking energy: -92.754
Base-Backbone interact. energy: -0.053
local terms energy: -88.771898
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -252.518970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.518970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.518970 (E_RNA)
where:
Base-Base interactions energy: -173.092
where: short stacking energy: -75.149
Base-Backbone interact. energy: -0.355
local terms energy: -79.071729
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -266.759061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.759061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.759061 (E_RNA)
where:
Base-Base interactions energy: -171.763
where: short stacking energy: -73.646
Base-Backbone interact. energy: -0.090
local terms energy: -94.906396
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -217.833927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.833927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.833927 (E_RNA)
where:
Base-Base interactions energy: -138.939
where: short stacking energy: -59.374
Base-Backbone interact. energy: -0.682
local terms energy: -78.212961
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -17.823
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: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -228.939195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.939195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.939195 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.171
local terms energy: -82.756901
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.313
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: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -192.989959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.989959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.989959 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.367
local terms energy: -73.829069
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -8.003
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: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -97.154344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.154344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.154344 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.090
local terms energy: -58.893311
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -99.882477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.882477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.882477 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.316
local terms energy: -58.943985
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -298.107783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.107783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.107783 (E_RNA)
where:
Base-Base interactions energy: -193.410
where: short stacking energy: -93.750
Base-Backbone interact. energy: -0.922
local terms energy: -103.775604
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -30.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -299.881823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.881823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.881823 (E_RNA)
where:
Base-Base interactions energy: -194.194
where: short stacking energy: -91.440
Base-Backbone interact. energy: -2.793
local terms energy: -102.894865
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -286.162449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.162449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.162449 (E_RNA)
where:
Base-Base interactions energy: -191.921
where: short stacking energy: -95.346
Base-Backbone interact. energy: -0.061
local terms energy: -94.180076
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -12.960
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: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -255.363159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.363159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.363159 (E_RNA)
where:
Base-Base interactions energy: -179.347
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.256
local terms energy: -75.760523
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -18.306
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: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -259.251673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.251673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.251673 (E_RNA)
where:
Base-Base interactions energy: -176.967
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.659
local terms energy: -81.625733
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -225.828775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.828775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.828775 (E_RNA)
where:
Base-Base interactions energy: -139.089
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.556
local terms energy: -86.183364
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -216.337699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.337699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.337699 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -64.817
Base-Backbone interact. energy: -0.665
local terms energy: -78.048812
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -198.768896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.768896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.768896 (E_RNA)
where:
Base-Base interactions energy: -113.874
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.050
local terms energy: -84.845142
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -87.105187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.105187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.105187 (E_RNA)
where:
Base-Base interactions energy: -24.970
where: short stacking energy: -19.487
Base-Backbone interact. energy: -0.383
local terms energy: -61.752382
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: 1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -106.811044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.811044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.811044 (E_RNA)
where:
Base-Base interactions energy: -51.571
where: short stacking energy: -38.746
Base-Backbone interact. energy: -0.118
local terms energy: -55.122546
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -305.245288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.245288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.245288 (E_RNA)
where:
Base-Base interactions energy: -195.168
where: short stacking energy: -85.336
Base-Backbone interact. energy: -0.280
local terms energy: -109.797422
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -292.598021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.598021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.598021 (E_RNA)
where:
Base-Base interactions energy: -197.125
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.003
local terms energy: -95.469863
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -30.211
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -288.433250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.433250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.433250 (E_RNA)
where:
Base-Base interactions energy: -186.531
where: short stacking energy: -82.354
Base-Backbone interact. energy: -0.648
local terms energy: -101.253828
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -28.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -252.267778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.267778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.267778 (E_RNA)
where:
Base-Base interactions energy: -174.617
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.077
local terms energy: -77.572863
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -247.885481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.885481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.885481 (E_RNA)
where:
Base-Base interactions energy: -170.762
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.850
local terms energy: -76.273285
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -217.701299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.701299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.701299 (E_RNA)
where:
Base-Base interactions energy: -132.595
where: short stacking energy: -61.881
Base-Backbone interact. energy: -0.535
local terms energy: -84.570902
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -14.619
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: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -207.603138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.603138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.603138 (E_RNA)
where:
Base-Base interactions energy: -128.829
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.117
local terms energy: -78.656246
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -224.650434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.650434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.650434 (E_RNA)
where:
Base-Base interactions energy: -144.991
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.727
local terms energy: -78.932080
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -106.360713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360713 (E_RNA)
where:
Base-Base interactions energy: -49.075
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.286
local terms energy: -57.000093
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -91.024871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024871 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.145
local terms energy: -65.563781
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -299.742240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.742240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.742240 (E_RNA)
where:
Base-Base interactions energy: -201.665
where: short stacking energy: -93.457
Base-Backbone interact. energy: -1.219
local terms energy: -96.857984
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -296.428242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.428242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.428242 (E_RNA)
where:
Base-Base interactions energy: -199.129
where: short stacking energy: -91.720
Base-Backbone interact. energy: -0.130
local terms energy: -97.168958
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -282.399955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.399955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.399955 (E_RNA)
where:
Base-Base interactions energy: -183.269
where: short stacking energy: -79.947
Base-Backbone interact. energy: 1.632
local terms energy: -100.763771
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -27.178
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: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -234.330388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.330388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.330388 (E_RNA)
where:
Base-Base interactions energy: -150.659
where: short stacking energy: -67.738
Base-Backbone interact. energy: -0.256
local terms energy: -83.415095
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -193.187439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.187439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.187439 (E_RNA)
where:
Base-Base interactions energy: -120.687
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.036
local terms energy: -72.464273
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -242.337869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.337869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.337869 (E_RNA)
where:
Base-Base interactions energy: -154.849
where: short stacking energy: -59.336
Base-Backbone interact. energy: -0.311
local terms energy: -87.177893
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -209.735985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.735985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735985 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.063
local terms energy: -80.537028
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -193.843297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.843297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.843297 (E_RNA)
where:
Base-Base interactions energy: -126.920
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.958
local terms energy: -65.965302
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -102.944580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.944580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.944580 (E_RNA)
where:
Base-Base interactions energy: -39.876
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.669
local terms energy: -62.399971
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -2.206
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: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -91.967888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.967888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.967888 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.136
local terms energy: -57.302475
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -294.681377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.681377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.681377 (E_RNA)
where:
Base-Base interactions energy: -198.296
where: short stacking energy: -95.855
Base-Backbone interact. energy: -0.003
local terms energy: -96.382939
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -30.948
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: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -292.930093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.930093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.930093 (E_RNA)
where:
Base-Base interactions energy: -198.588
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.213
local terms energy: -94.129301
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -29.098
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: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -283.286629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.286629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.286629 (E_RNA)
where:
Base-Base interactions energy: -189.465
where: short stacking energy: -89.203
Base-Backbone interact. energy: -0.117
local terms energy: -93.704673
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -25.480
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -212.625165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.625165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.625165 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -50.145
Base-Backbone interact. energy: -0.287
local terms energy: -71.883398
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -197.332009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.332009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.332009 (E_RNA)
where:
Base-Base interactions energy: -126.006
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.026
local terms energy: -71.299361
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -215.866390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.866390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.866390 (E_RNA)
where:
Base-Base interactions energy: -132.508
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.245
local terms energy: -83.113643
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -185.292202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.292202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.292202 (E_RNA)
where:
Base-Base interactions energy: -121.987
where: short stacking energy: -50.155
Base-Backbone interact. energy: -1.467
local terms energy: -61.838729
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -212.342909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342909 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.925
local terms energy: -81.179247
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -105.831818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.831818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.831818 (E_RNA)
where:
Base-Base interactions energy: -36.561
where: short stacking energy: -16.051
Base-Backbone interact. energy: -0.622
local terms energy: -68.649463
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -1.846
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: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -89.488093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488093 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.967
local terms energy: -49.980423
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -288.061472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.061472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.061472 (E_RNA)
where:
Base-Base interactions energy: -187.003
where: short stacking energy: -89.746
Base-Backbone interact. energy: -1.566
local terms energy: -99.492549
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -28.603
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: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -296.748678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.748678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.748678 (E_RNA)
where:
Base-Base interactions energy: -194.637
where: short stacking energy: -90.047
Base-Backbone interact. energy: -0.096
local terms energy: -102.015646
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -29.234
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -276.079212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.079212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.079212 (E_RNA)
where:
Base-Base interactions energy: -191.877
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.160
local terms energy: -84.042121
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.011
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: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -244.672570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.672570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.672570 (E_RNA)
where:
Base-Base interactions energy: -162.074
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.347
local terms energy: -82.251474
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.704
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -227.988199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.988199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.988199 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.072
local terms energy: -81.631947
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -228.833483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.833483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.833483 (E_RNA)
where:
Base-Base interactions energy: -148.895
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.168
local terms energy: -79.770611
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -17.289
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: 388
Temperature: 1.200000
Total energy: -209.659881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.659881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.659881 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -62.068
Base-Backbone interact. energy: -1.226
local terms energy: -63.610739
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -182.822164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.822164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.822164 (E_RNA)
where:
Base-Base interactions energy: -111.144
where: short stacking energy: -52.625
Base-Backbone interact. energy: -0.982
local terms energy: -70.696729
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -99.205464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.205464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.205464 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.035
local terms energy: -64.021082
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -5.253
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: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -99.792539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.792539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.792539 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.283
local terms energy: -69.487211
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -14.296
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -299.444944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.444944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.444944 (E_RNA)
where:
Base-Base interactions energy: -195.338
where: short stacking energy: -87.702
Base-Backbone interact. energy: -0.284
local terms energy: -103.823425
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -28.332
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: 389
Temperature: 0.950000
Total energy: -276.464899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.464899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.464899 (E_RNA)
where:
Base-Base interactions energy: -175.127
where: short stacking energy: -71.045
Base-Backbone interact. energy: -0.126
local terms energy: -101.212118
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -292.562388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.562388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.562388 (E_RNA)
where:
Base-Base interactions energy: -195.954
where: short stacking energy: -88.752
Base-Backbone interact. energy: -0.099
local terms energy: -96.510089
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -13.722
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: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -277.806471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.806471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.806471 (E_RNA)
where:
Base-Base interactions energy: -188.438
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.203
local terms energy: -89.165896
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -25.647
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -228.612879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.612879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.612879 (E_RNA)
where:
Base-Base interactions energy: -154.481
where: short stacking energy: -60.162
Base-Backbone interact. energy: 0.036
local terms energy: -74.168110
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -8.432
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: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -203.259998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.259998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259998 (E_RNA)
where:
Base-Base interactions energy: -124.739
where: short stacking energy: -54.064
Base-Backbone interact. energy: 0.536
local terms energy: -79.056648
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -7.497
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: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -198.924838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.924838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.924838 (E_RNA)
where:
Base-Base interactions energy: -135.847
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.123
local terms energy: -62.955239
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -11.247
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -181.323241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.323241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.323241 (E_RNA)
where:
Base-Base interactions energy: -105.260
where: short stacking energy: -45.968
Base-Backbone interact. energy: -1.414
local terms energy: -74.649197
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -9.438
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: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -100.738654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.738654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.738654 (E_RNA)
where:
Base-Base interactions energy: -29.984
where: short stacking energy: -29.984
Base-Backbone interact. energy: -0.060
local terms energy: -70.693919
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -90.298066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.298066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.298066 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.489
local terms energy: -57.276465
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -298.480308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.480308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.480308 (E_RNA)
where:
Base-Base interactions energy: -202.147
where: short stacking energy: -87.859
Base-Backbone interact. energy: -0.659
local terms energy: -95.674114
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -288.081082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.081082 (E_RNA)
where:
Base-Base interactions energy: -186.857
where: short stacking energy: -79.642
Base-Backbone interact. energy: -0.923
local terms energy: -100.301454
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -279.670888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.670888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.670888 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.001
local terms energy: -88.301129
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -15.150
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: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -278.209624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.209624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.209624 (E_RNA)
where:
Base-Base interactions energy: -190.303
where: short stacking energy: -82.459
Base-Backbone interact. energy: -0.140
local terms energy: -87.766753
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -245.335472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.335472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.335472 (E_RNA)
where:
Base-Base interactions energy: -156.804
where: short stacking energy: -66.695
Base-Backbone interact. energy: -0.178
local terms energy: -88.353560
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -218.213376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.213376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213376 (E_RNA)
where:
Base-Base interactions energy: -140.626
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.200
local terms energy: -77.387627
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.981
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -212.519310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519310 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -54.881
Base-Backbone interact. energy: -0.084
local terms energy: -76.756575
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -13.353
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: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -123.155541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.155541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.155541 (E_RNA)
where:
Base-Base interactions energy: -62.391
where: short stacking energy: -39.026
Base-Backbone interact. energy: -0.025
local terms energy: -60.739200
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -5.414
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: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -100.307432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.307432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.307432 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.035
local terms energy: -59.705305
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -88.603168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.603168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.603168 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -30.677
Base-Backbone interact. energy: -0.057
local terms energy: -57.869398
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: 0.655
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: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -300.517845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.517845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.517845 (E_RNA)
where:
Base-Base interactions energy: -200.619
where: short stacking energy: -92.347
Base-Backbone interact. energy: 0.227
local terms energy: -100.125003
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -292.013563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.013563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.013563 (E_RNA)
where:
Base-Base interactions energy: -193.512
where: short stacking energy: -94.476
Base-Backbone interact. energy: -0.005
local terms energy: -98.496134
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -14.984
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: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -267.713950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.713950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.713950 (E_RNA)
where:
Base-Base interactions energy: -176.903
where: short stacking energy: -82.522
Base-Backbone interact. energy: -0.173
local terms energy: -90.638009
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -11.450
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -258.053050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.053050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.053050 (E_RNA)
where:
Base-Base interactions energy: -168.181
where: short stacking energy: -73.023
Base-Backbone interact. energy: -0.750
local terms energy: -89.122274
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -280.943248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.943248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.943248 (E_RNA)
where:
Base-Base interactions energy: -192.678
where: short stacking energy: -88.840
Base-Backbone interact. energy: -0.587
local terms energy: -87.678263
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -30.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -229.622153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.622153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.622153 (E_RNA)
where:
Base-Base interactions energy: -151.225
where: short stacking energy: -56.716
Base-Backbone interact. energy: -1.089
local terms energy: -77.308325
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -202.372230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.372230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.372230 (E_RNA)
where:
Base-Base interactions energy: -135.464
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.125
local terms energy: -66.783061
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -116.974007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.974007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.974007 (E_RNA)
where:
Base-Base interactions energy: -47.386
where: short stacking energy: -28.100
Base-Backbone interact. energy: -0.484
local terms energy: -69.104452
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -97.078371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.078371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.078371 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -32.133
Base-Backbone interact. energy: -0.073
local terms energy: -62.664753
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -92.993786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.993786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.993786 (E_RNA)
where:
Base-Base interactions energy: -31.951
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.553
local terms energy: -60.490027
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -4.693
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: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -298.618170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.618170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.618170 (E_RNA)
where:
Base-Base interactions energy: -198.232
where: short stacking energy: -95.529
Base-Backbone interact. energy: 1.922
local terms energy: -102.308344
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -285.386378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.386378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.386378 (E_RNA)
where:
Base-Base interactions energy: -187.416
where: short stacking energy: -79.384
Base-Backbone interact. energy: -0.084
local terms energy: -97.885857
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -293.069145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.069145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.069145 (E_RNA)
where:
Base-Base interactions energy: -200.382
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.018
local terms energy: -92.669317
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.200
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: 392
Temperature: 1.050000
Total energy: -250.652372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.652372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.652372 (E_RNA)
where:
Base-Base interactions energy: -167.044
where: short stacking energy: -62.201
Base-Backbone interact. energy: -1.408
local terms energy: -82.200266
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -15.032
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: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -283.199201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.199201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.199201 (E_RNA)
where:
Base-Base interactions energy: -190.702
where: short stacking energy: -85.554
Base-Backbone interact. energy: -0.743
local terms energy: -91.754895
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -27.526
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: 392
Temperature: 1.150000
Total energy: -228.366011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.366011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.366011 (E_RNA)
where:
Base-Base interactions energy: -151.234
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.465
local terms energy: -76.666704
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -194.533776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.533776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.533776 (E_RNA)
where:
Base-Base interactions energy: -124.886
where: short stacking energy: -44.934
Base-Backbone interact. energy: -0.492
local terms energy: -69.155581
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -6.104
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -109.437757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.437757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.437757 (E_RNA)
where:
Base-Base interactions energy: -39.694
where: short stacking energy: -35.563
Base-Backbone interact. energy: -0.124
local terms energy: -69.619621
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -14.502
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -100.249067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.249067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.249067 (E_RNA)
where:
Base-Base interactions energy: -48.181
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.211
local terms energy: -51.857191
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -6.181
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: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -94.996001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.996001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.996001 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -37.567
Base-Backbone interact. energy: 1.188
local terms energy: -57.914873
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -2.360
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: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -289.135289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.135289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.135289 (E_RNA)
where:
Base-Base interactions energy: -193.307
where: short stacking energy: -87.038
Base-Backbone interact. energy: -0.636
local terms energy: -95.191978
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -26.777
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -282.881507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.881507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.881507 (E_RNA)
where:
Base-Base interactions energy: -191.693
where: short stacking energy: -75.191
Base-Backbone interact. energy: -0.074
local terms energy: -91.114832
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -289.194539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.194539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.194539 (E_RNA)
where:
Base-Base interactions energy: -187.082
where: short stacking energy: -85.130
Base-Backbone interact. energy: -0.089
local terms energy: -102.023653
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -29.783
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -287.921490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.921490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.921490 (E_RNA)
where:
Base-Base interactions energy: -190.173
where: short stacking energy: -93.843
Base-Backbone interact. energy: 0.401
local terms energy: -98.149690
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -248.180934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.180934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.180934 (E_RNA)
where:
Base-Base interactions energy: -160.860
where: short stacking energy: -74.054
Base-Backbone interact. energy: -0.045
local terms energy: -87.275289
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -222.926455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926455 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -73.535
Base-Backbone interact. energy: 0.136
local terms energy: -74.432893
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -207.173689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.173689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.173689 (E_RNA)
where:
Base-Base interactions energy: -146.074
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.410
local terms energy: -60.689848
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -111.145108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.145108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.145108 (E_RNA)
where:
Base-Base interactions energy: -42.051
where: short stacking energy: -29.516
Base-Backbone interact. energy: -0.088
local terms energy: -69.006561
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -0.784
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: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -91.162338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.162338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.162338 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -16.514
Base-Backbone interact. energy: -1.809
local terms energy: -54.139936
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: 5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -98.047954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047954 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.068
local terms energy: -61.989893
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -288.013527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.013527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.013527 (E_RNA)
where:
Base-Base interactions energy: -194.505
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.592
local terms energy: -92.915888
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -295.744311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.744311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.744311 (E_RNA)
where:
Base-Base interactions energy: -192.107
where: short stacking energy: -82.724
Base-Backbone interact. energy: -0.099
local terms energy: -103.538735
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -284.527072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.527072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.527072 (E_RNA)
where:
Base-Base interactions energy: -194.531
where: short stacking energy: -89.188
Base-Backbone interact. energy: -0.471
local terms energy: -89.525433
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -26.938
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: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -280.676501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.676501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.676501 (E_RNA)
where:
Base-Base interactions energy: -182.469
where: short stacking energy: -81.525
Base-Backbone interact. energy: -0.112
local terms energy: -98.096144
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -29.765
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: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -249.275082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.275082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.275082 (E_RNA)
where:
Base-Base interactions energy: -176.655
where: short stacking energy: -78.747
Base-Backbone interact. energy: -0.316
local terms energy: -72.303646
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -235.103282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.103282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.103282 (E_RNA)
where:
Base-Base interactions energy: -149.764
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.468
local terms energy: -84.871606
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.096
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: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -191.634315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.634315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.634315 (E_RNA)
where:
Base-Base interactions energy: -116.139
where: short stacking energy: -42.597
Base-Backbone interact. energy: -0.448
local terms energy: -75.047747
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -115.851422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.851422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.851422 (E_RNA)
where:
Base-Base interactions energy: -54.832
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.158
local terms energy: -60.861179
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -104.748872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.748872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.748872 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -44.192
Base-Backbone interact. energy: -0.125
local terms energy: -60.306183
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -93.087149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087149 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -23.500
Base-Backbone interact. energy: -0.277
local terms energy: -57.612925
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -291.512335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.512335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.512335 (E_RNA)
where:
Base-Base interactions energy: -198.403
where: short stacking energy: -86.215
Base-Backbone interact. energy: 0.163
local terms energy: -93.272038
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -295.804025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.804025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.804025 (E_RNA)
where:
Base-Base interactions energy: -189.100
where: short stacking energy: -87.367
Base-Backbone interact. energy: -0.107
local terms energy: -106.596718
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -281.756140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.756140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.756140 (E_RNA)
where:
Base-Base interactions energy: -191.226
where: short stacking energy: -92.037
Base-Backbone interact. energy: -0.122
local terms energy: -90.408672
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -25.545
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: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -249.575279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.575279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.575279 (E_RNA)
where:
Base-Base interactions energy: -154.997
where: short stacking energy: -67.586
Base-Backbone interact. energy: -1.775
local terms energy: -92.803486
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -250.688809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.688809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.688809 (E_RNA)
where:
Base-Base interactions energy: -165.826
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.106
local terms energy: -84.757151
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -250.979680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.979680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.979680 (E_RNA)
where:
Base-Base interactions energy: -159.950
where: short stacking energy: -81.622
Base-Backbone interact. energy: -0.093
local terms energy: -90.936216
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -25.764
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -213.281762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.281762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.281762 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -61.767
Base-Backbone interact. energy: 1.277
local terms energy: -76.776633
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -147.081575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.081575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.081575 (E_RNA)
where:
Base-Base interactions energy: -77.040
where: short stacking energy: -47.100
Base-Backbone interact. energy: -0.120
local terms energy: -69.921619
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -108.158395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.158395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.158395 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.248
local terms energy: -66.128657
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: 0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -91.139686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139686 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -19.500
Base-Backbone interact. energy: 0.084
local terms energy: -61.298338
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -306.124721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.124721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.124721 (E_RNA)
where:
Base-Base interactions energy: -200.435
where: short stacking energy: -100.727
Base-Backbone interact. energy: -0.196
local terms energy: -105.493561
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -32.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -294.375593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.375593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.375593 (E_RNA)
where:
Base-Base interactions energy: -213.491
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.010
local terms energy: -80.874382
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -295.573452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.573452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.573452 (E_RNA)
where:
Base-Base interactions energy: -199.752
where: short stacking energy: -90.676
Base-Backbone interact. energy: -0.194
local terms energy: -95.627324
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -14.125
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: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -249.024777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024777 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -78.295
Base-Backbone interact. energy: -0.005
local terms energy: -88.951776
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -23.829
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: 396
Temperature: 1.100000
Total energy: -244.693578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.693578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.693578 (E_RNA)
where:
Base-Base interactions energy: -165.941
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.256
local terms energy: -78.496935
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -246.359050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.359050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.359050 (E_RNA)
where:
Base-Base interactions energy: -168.906
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.170
local terms energy: -77.283135
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -212.114838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114838 (E_RNA)
where:
Base-Base interactions energy: -124.049
where: short stacking energy: -55.982
Base-Backbone interact. energy: -0.162
local terms energy: -87.903884
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -149.965160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.965160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.965160 (E_RNA)
where:
Base-Base interactions energy: -82.843
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.099
local terms energy: -67.023125
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -94.152372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152372 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.295
local terms energy: -59.064357
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -91.363652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363652 (E_RNA)
where:
Base-Base interactions energy: -41.354
where: short stacking energy: -27.326
Base-Backbone interact. energy: 2.335
local terms energy: -52.344123
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -294.953543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.953543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.953543 (E_RNA)
where:
Base-Base interactions energy: -195.415
where: short stacking energy: -85.697
Base-Backbone interact. energy: -0.089
local terms energy: -99.448983
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -292.996894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.996894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.996894 (E_RNA)
where:
Base-Base interactions energy: -199.134
where: short stacking energy: -88.078
Base-Backbone interact. energy: -0.070
local terms energy: -93.793479
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -15.159
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: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -266.120230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.120230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.120230 (E_RNA)
where:
Base-Base interactions energy: -181.944
where: short stacking energy: -85.838
Base-Backbone interact. energy: -0.032
local terms energy: -84.144066
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -246.298097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.298097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298097 (E_RNA)
where:
Base-Base interactions energy: -157.926
where: short stacking energy: -67.737
Base-Backbone interact. energy: -0.914
local terms energy: -87.457906
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -23.369
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: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -217.308225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.308225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.308225 (E_RNA)
where:
Base-Base interactions energy: -145.317
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.246
local terms energy: -71.744979
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -221.267601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.267601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.267601 (E_RNA)
where:
Base-Base interactions energy: -142.758
where: short stacking energy: -72.050
Base-Backbone interact. energy: -1.054
local terms energy: -77.456229
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -18.292
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -241.304530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.304530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.304530 (E_RNA)
where:
Base-Base interactions energy: -156.452
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.377
local terms energy: -84.475720
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -20.997
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: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -119.343415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343415 (E_RNA)
where:
Base-Base interactions energy: -54.524
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.435
local terms energy: -64.385127
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -12.260
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -100.187041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.187041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.187041 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.634
Base-Backbone interact. energy: -0.091
local terms energy: -66.413646
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -91.844866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.844866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.844866 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.081
local terms energy: -59.430881
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -301.585440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.585440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.585440 (E_RNA)
where:
Base-Base interactions energy: -203.250
where: short stacking energy: -88.733
Base-Backbone interact. energy: -0.226
local terms energy: -98.109415
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -13.943
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: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -279.676210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.676210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.676210 (E_RNA)
where:
Base-Base interactions energy: -187.786
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.013
local terms energy: -91.877209
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -262.112298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.112298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.112298 (E_RNA)
where:
Base-Base interactions energy: -178.300
where: short stacking energy: -91.061
Base-Backbone interact. energy: -0.029
local terms energy: -83.783008
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -4.595
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -23.524
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: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -247.444971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.444971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.444971 (E_RNA)
where:
Base-Base interactions energy: -155.246
where: short stacking energy: -71.697
Base-Backbone interact. energy: -1.589
local terms energy: -90.609544
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -199.949091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.949091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.949091 (E_RNA)
where:
Base-Base interactions energy: -118.811
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.244
local terms energy: -80.893907
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -16.189
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -209.316213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.316213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.316213 (E_RNA)
where:
Base-Base interactions energy: -138.792
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.248
local terms energy: -70.275398
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -8.998
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: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -206.571914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571914 (E_RNA)
where:
Base-Base interactions energy: -128.423
where: short stacking energy: -67.201
Base-Backbone interact. energy: -0.474
local terms energy: -77.675761
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -126.038566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.038566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.038566 (E_RNA)
where:
Base-Base interactions energy: -68.074
where: short stacking energy: -39.704
Base-Backbone interact. energy: -0.872
local terms energy: -57.092492
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -105.092411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.092411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.092411 (E_RNA)
where:
Base-Base interactions energy: -47.093
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.156
local terms energy: -57.842766
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -93.607943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.607943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.607943 (E_RNA)
where:
Base-Base interactions energy: -20.991
where: short stacking energy: -20.991
Base-Backbone interact. energy: -0.066
local terms energy: -72.550972
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -301.657956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.657956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.657956 (E_RNA)
where:
Base-Base interactions energy: -197.558
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.290
local terms energy: -103.810126
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -29.273
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: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -275.518078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.518078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.518078 (E_RNA)
where:
Base-Base interactions energy: -190.977
where: short stacking energy: -73.385
Base-Backbone interact. energy: -0.077
local terms energy: -84.463779
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -303.226357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.226357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.226357 (E_RNA)
where:
Base-Base interactions energy: -205.676
where: short stacking energy: -86.424
Base-Backbone interact. energy: -0.581
local terms energy: -96.968967
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -264.676792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.676792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.676792 (E_RNA)
where:
Base-Base interactions energy: -169.890
where: short stacking energy: -86.322
Base-Backbone interact. energy: -0.188
local terms energy: -94.599080
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -218.624893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.624893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.624893 (E_RNA)
where:
Base-Base interactions energy: -135.030
where: short stacking energy: -67.998
Base-Backbone interact. energy: 0.049
local terms energy: -83.643759
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -242.613992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.613992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.613992 (E_RNA)
where:
Base-Base interactions energy: -159.489
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.204
local terms energy: -82.921443
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -192.826248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826248 (E_RNA)
where:
Base-Base interactions energy: -118.968
where: short stacking energy: -48.574
Base-Backbone interact. energy: -1.579
local terms energy: -72.279909
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -11.697
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: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -105.978049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.978049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.978049 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -28.010
Base-Backbone interact. energy: -1.292
local terms energy: -55.825967
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -102.612286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.612286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.612286 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -39.472
Base-Backbone interact. energy: -0.245
local terms energy: -43.049607
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -101.490343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.490343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.490343 (E_RNA)
where:
Base-Base interactions energy: -40.158
where: short stacking energy: -40.158
Base-Backbone interact. energy: 1.016
local terms energy: -62.347759
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -9.401
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -295.515290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.515290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.515290 (E_RNA)
where:
Base-Base interactions energy: -200.500
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.048
local terms energy: -94.966992
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -13.317
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: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -286.052371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.052371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.052371 (E_RNA)
where:
Base-Base interactions energy: -191.642
where: short stacking energy: -89.134
Base-Backbone interact. energy: -0.373
local terms energy: -94.036477
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -287.091000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091000 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -84.182
Base-Backbone interact. energy: -0.216
local terms energy: -103.324447
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -28.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -240.814688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.814688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.814688 (E_RNA)
where:
Base-Base interactions energy: -147.413
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.098
local terms energy: -93.304382
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -20.755
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -236.237815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.237815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.237815 (E_RNA)
where:
Base-Base interactions energy: -152.164
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.406
local terms energy: -83.667682
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -178.260818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.260818 (E_RNA)
where:
Base-Base interactions energy: -111.447
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.024
local terms energy: -66.790095
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -7.506
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: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -180.361414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.361414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.361414 (E_RNA)
where:
Base-Base interactions energy: -111.527
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.174
local terms energy: -68.660460
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -7.242
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: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -134.578133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.578133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.578133 (E_RNA)
where:
Base-Base interactions energy: -72.281
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.224
local terms energy: -62.073372
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -95.552137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552137 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -37.064
Base-Backbone interact. energy: 0.895
local terms energy: -59.782765
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -0.995
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -100.009838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.009838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.009838 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -27.640
Base-Backbone interact. energy: -0.163
local terms energy: -60.978343
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -4.044
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: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -300.391412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.391412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.391412 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -95.455
Base-Backbone interact. energy: -0.230
local terms energy: -100.653012
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -29.979
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -267.329995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.329995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.329995 (E_RNA)
where:
Base-Base interactions energy: -179.408
where: short stacking energy: -87.101
Base-Backbone interact. energy: -0.021
local terms energy: -87.900871
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -285.945819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.945819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.945819 (E_RNA)
where:
Base-Base interactions energy: -191.955
where: short stacking energy: -86.359
Base-Backbone interact. energy: -0.480
local terms energy: -93.510962
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -26.231
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: 401
Temperature: 1.050000
Total energy: -241.426730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.426730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.426730 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -76.255
Base-Backbone interact. energy: -0.063
local terms energy: -88.664965
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -227.619090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.619090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.619090 (E_RNA)
where:
Base-Base interactions energy: -136.072
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.923
local terms energy: -90.623976
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -175.407088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.407088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.407088 (E_RNA)
where:
Base-Base interactions energy: -115.882
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.183
local terms energy: -59.342351
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -8.111
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -162.343585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343585 (E_RNA)
where:
Base-Base interactions energy: -97.237
where: short stacking energy: -48.037
Base-Backbone interact. energy: -0.532
local terms energy: -64.574071
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -8.125
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -118.343999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.343999 (E_RNA)
where:
Base-Base interactions energy: -59.802
where: short stacking energy: -34.841
Base-Backbone interact. energy: 1.279
local terms energy: -59.820895
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -105.194982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194982 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -37.697
Base-Backbone interact. energy: -0.157
local terms energy: -67.191474
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -94.614409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.614409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.614409 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.200
local terms energy: -55.012925
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -297.168432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.168432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.168432 (E_RNA)
where:
Base-Base interactions energy: -196.746
where: short stacking energy: -92.120
Base-Backbone interact. energy: -0.295
local terms energy: -100.127258
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -28.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -274.562072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.562072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.562072 (E_RNA)
where:
Base-Base interactions energy: -183.641
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.315
local terms energy: -90.606472
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -24.574
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: 402
Temperature: 1.000000
Total energy: -283.019798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.019798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.019798 (E_RNA)
where:
Base-Base interactions energy: -189.875
where: short stacking energy: -83.476
Base-Backbone interact. energy: 0.526
local terms energy: -93.670405
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -243.054905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.054905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.054905 (E_RNA)
where:
Base-Base interactions energy: -148.040
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.297
local terms energy: -94.718337
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -23.992
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -237.863028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.863028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.863028 (E_RNA)
where:
Base-Base interactions energy: -155.385
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.165
local terms energy: -82.313510
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -180.173758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.173758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.173758 (E_RNA)
where:
Base-Base interactions energy: -103.906
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.018
local terms energy: -76.250295
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -177.007692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007692 (E_RNA)
where:
Base-Base interactions energy: -107.881
where: short stacking energy: -50.453
Base-Backbone interact. energy: -1.366
local terms energy: -67.760666
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -7.501
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: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -113.345861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.345861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.345861 (E_RNA)
where:
Base-Base interactions energy: -49.640
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.022
local terms energy: -63.683644
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -105.489128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.489128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.489128 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.141
local terms energy: -56.162128
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -93.492407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.492407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.492407 (E_RNA)
where:
Base-Base interactions energy: -20.363
where: short stacking energy: -18.401
Base-Backbone interact. energy: -0.316
local terms energy: -72.813776
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -295.712104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.712104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.712104 (E_RNA)
where:
Base-Base interactions energy: -197.461
where: short stacking energy: -88.517
Base-Backbone interact. energy: -0.250
local terms energy: -98.000241
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -26.448
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: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -279.801933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.801933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.801933 (E_RNA)
where:
Base-Base interactions energy: -181.393
where: short stacking energy: -85.995
Base-Backbone interact. energy: -2.332
local terms energy: -96.076986
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -277.477623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.477623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.477623 (E_RNA)
where:
Base-Base interactions energy: -192.074
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.613
local terms energy: -84.790759
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -21.493
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -237.698707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.698707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.698707 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.059
local terms energy: -80.369828
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -217.839946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.839946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.839946 (E_RNA)
where:
Base-Base interactions energy: -147.875
where: short stacking energy: -64.016
Base-Backbone interact. energy: 1.164
local terms energy: -71.128688
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -186.160403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.160403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.160403 (E_RNA)
where:
Base-Base interactions energy: -117.813
where: short stacking energy: -49.402
Base-Backbone interact. energy: -0.290
local terms energy: -68.057222
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -193.650377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.650377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.650377 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -56.576
Base-Backbone interact. energy: 0.260
local terms energy: -66.897702
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -103.809830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.809830 (E_RNA)
where:
Base-Base interactions energy: -44.816
where: short stacking energy: -35.800
Base-Backbone interact. energy: 0.419
local terms energy: -59.412762
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -108.448335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.448335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.448335 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -41.570
Base-Backbone interact. energy: -0.029
local terms energy: -66.849203
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -91.354194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.354194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.354194 (E_RNA)
where:
Base-Base interactions energy: -29.830
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.296
local terms energy: -61.228605
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -289.195616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.195616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.195616 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -83.543
Base-Backbone interact. energy: -0.583
local terms energy: -98.009530
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -25.910
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: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -293.211367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.211367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.211367 (E_RNA)
where:
Base-Base interactions energy: -200.173
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.019
local terms energy: -93.019567
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -25.019
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: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -266.899957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.899957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.899957 (E_RNA)
where:
Base-Base interactions energy: -187.415
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.640
local terms energy: -78.845496
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -233.482451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.482451 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -66.494
Base-Backbone interact. energy: 0.960
local terms energy: -77.447509
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -232.767931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.767931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.767931 (E_RNA)
where:
Base-Base interactions energy: -151.077
where: short stacking energy: -63.096
Base-Backbone interact. energy: -0.114
local terms energy: -81.576813
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -17.485
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: 404
Temperature: 1.150000
Total energy: -218.074750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.074750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.074750 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -74.162
Base-Backbone interact. energy: -0.860
local terms energy: -71.319068
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -18.823
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -185.294211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.294211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.294211 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.567
local terms energy: -64.255349
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -116.705995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.705995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.705995 (E_RNA)
where:
Base-Base interactions energy: -40.527
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.464
local terms energy: -75.714521
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -87.706341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.706341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.706341 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -27.123
Base-Backbone interact. energy: 0.484
local terms energy: -60.691890
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: 3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -97.043934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.043934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.043934 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -28.131
Base-Backbone interact. energy: 1.662
local terms energy: -58.516256
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: 3.085
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -296.896968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.896968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.896968 (E_RNA)
where:
Base-Base interactions energy: -193.933
where: short stacking energy: -91.566
Base-Backbone interact. energy: -0.027
local terms energy: -102.937145
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -26.563
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: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -292.255283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.255283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.255283 (E_RNA)
where:
Base-Base interactions energy: -199.745
where: short stacking energy: -89.944
Base-Backbone interact. energy: -0.098
local terms energy: -92.412583
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -22.738
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: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -290.793003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.793003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.793003 (E_RNA)
where:
Base-Base interactions energy: -201.747
where: short stacking energy: -80.849
Base-Backbone interact. energy: 1.014
local terms energy: -90.059875
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -23.876
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: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -244.428362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.428362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.428362 (E_RNA)
where:
Base-Base interactions energy: -158.735
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.080
local terms energy: -85.613227
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -226.104387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.104387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.104387 (E_RNA)
where:
Base-Base interactions energy: -145.934
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.096
local terms energy: -80.074425
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -222.440942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440942 (E_RNA)
where:
Base-Base interactions energy: -155.006
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.104
local terms energy: -67.330358
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -182.377831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.377831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.377831 (E_RNA)
where:
Base-Base interactions energy: -114.528
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.953
local terms energy: -66.896948
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -110.271504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.271504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.271504 (E_RNA)
where:
Base-Base interactions energy: -47.879
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.522
local terms energy: -61.870875
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -99.213220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.213220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.213220 (E_RNA)
where:
Base-Base interactions energy: -44.504
where: short stacking energy: -36.529
Base-Backbone interact. energy: -0.296
local terms energy: -54.413323
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -88.396823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.396823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.396823 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.125
local terms energy: -57.450280
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: 4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -292.856712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.856712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.856712 (E_RNA)
where:
Base-Base interactions energy: -195.889
where: short stacking energy: -91.204
Base-Backbone interact. energy: -0.100
local terms energy: -96.867208
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -26.811
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -288.332648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.332648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.332648 (E_RNA)
where:
Base-Base interactions energy: -193.417
where: short stacking energy: -89.128
Base-Backbone interact. energy: -0.125
local terms energy: -94.790225
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -292.139944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.139944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.139944 (E_RNA)
where:
Base-Base interactions energy: -204.826
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.155
local terms energy: -87.159013
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -268.143091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.143091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.143091 (E_RNA)
where:
Base-Base interactions energy: -183.599
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.158
local terms energy: -84.385586
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -208.837653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.837653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.837653 (E_RNA)
where:
Base-Base interactions energy: -139.391
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.658
local terms energy: -68.788726
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -204.479306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.479306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.479306 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -58.621
Base-Backbone interact. energy: 1.391
local terms energy: -73.108334
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -184.215969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.215969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.215969 (E_RNA)
where:
Base-Base interactions energy: -112.281
where: short stacking energy: -43.913
Base-Backbone interact. energy: -0.158
local terms energy: -71.776534
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.573
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: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -118.337417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.337417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.337417 (E_RNA)
where:
Base-Base interactions energy: -57.871
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.643
local terms energy: -59.823930
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -6.802
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -102.988779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.988779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.988779 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -32.875
Base-Backbone interact. energy: -1.531
local terms energy: -57.985346
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -114.685642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.685642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.685642 (E_RNA)
where:
Base-Base interactions energy: -44.878
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.019
local terms energy: -69.788965
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -294.713971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.713971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.713971 (E_RNA)
where:
Base-Base interactions energy: -202.513
where: short stacking energy: -78.610
Base-Backbone interact. energy: -0.143
local terms energy: -92.058349
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -298.880099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.880099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.880099 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -82.955
Base-Backbone interact. energy: -0.001
local terms energy: -103.119253
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -22.062
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -28.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -289.140306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.140306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.140306 (E_RNA)
where:
Base-Base interactions energy: -195.137
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.166
local terms energy: -93.837045
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -14.774
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -288.560411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.560411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.560411 (E_RNA)
where:
Base-Base interactions energy: -194.097
where: short stacking energy: -90.774
Base-Backbone interact. energy: -0.287
local terms energy: -94.176294
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -29.061
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -244.334357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.334357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.334357 (E_RNA)
where:
Base-Base interactions energy: -162.037
where: short stacking energy: -63.944
Base-Backbone interact. energy: 0.610
local terms energy: -82.907269
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -217.249404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.249404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.249404 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.402
local terms energy: -93.707745
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -165.242266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.242266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.242266 (E_RNA)
where:
Base-Base interactions energy: -86.437
where: short stacking energy: -37.778
Base-Backbone interact. energy: -0.377
local terms energy: -78.428646
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -150.224119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.224119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.224119 (E_RNA)
where:
Base-Base interactions energy: -72.363
where: short stacking energy: -37.189
Base-Backbone interact. energy: -0.088
local terms energy: -77.773285
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -86.658246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658246 (E_RNA)
where:
Base-Base interactions energy: -29.679
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.253
local terms energy: -56.726540
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.186
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -86.557453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557453 (E_RNA)
where:
Base-Base interactions energy: -35.527
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.351
local terms energy: -50.679101
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -306.521337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.521337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.521337 (E_RNA)
where:
Base-Base interactions energy: -203.129
where: short stacking energy: -94.178
Base-Backbone interact. energy: -0.108
local terms energy: -103.284280
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -28.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -285.996858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.996858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.996858 (E_RNA)
where:
Base-Base interactions energy: -198.774
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.007
local terms energy: -87.215803
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -286.721439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.721439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.721439 (E_RNA)
where:
Base-Base interactions energy: -191.982
where: short stacking energy: -84.618
Base-Backbone interact. energy: -0.328
local terms energy: -94.411283
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -274.132829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.132829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.132829 (E_RNA)
where:
Base-Base interactions energy: -186.562
where: short stacking energy: -81.236
Base-Backbone interact. energy: 0.558
local terms energy: -88.128732
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -26.042
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: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -219.519286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.519286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.519286 (E_RNA)
where:
Base-Base interactions energy: -133.237
where: short stacking energy: -65.095
Base-Backbone interact. energy: -1.502
local terms energy: -84.780747
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -12.890
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -235.284794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.284794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.284794 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.251
local terms energy: -89.721231
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -156.323214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.323214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.323214 (E_RNA)
where:
Base-Base interactions energy: -83.013
where: short stacking energy: -43.512
Base-Backbone interact. energy: -0.289
local terms energy: -73.021831
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -153.277352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.277352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.277352 (E_RNA)
where:
Base-Base interactions energy: -83.115
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.569
local terms energy: -69.593423
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -96.463498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.463498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.463498 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.526
local terms energy: -53.683295
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -87.517814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.517814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.517814 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.391
local terms energy: -57.269477
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -6.073
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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -300.527892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.527892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.527892 (E_RNA)
where:
Base-Base interactions energy: -199.558
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.007
local terms energy: -100.963172
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -285.772563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.772563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.772563 (E_RNA)
where:
Base-Base interactions energy: -187.895
where: short stacking energy: -80.526
Base-Backbone interact. energy: -0.266
local terms energy: -97.611470
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -276.618990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.618990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.618990 (E_RNA)
where:
Base-Base interactions energy: -184.761
where: short stacking energy: -80.510
Base-Backbone interact. energy: -1.339
local terms energy: -90.519130
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -23.577
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: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -222.732926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.732926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.732926 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.785
local terms energy: -82.171800
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -16.068
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -269.640073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.640073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.640073 (E_RNA)
where:
Base-Base interactions energy: -174.925
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.600
local terms energy: -94.114820
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -24.335
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -231.592377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.592377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.592377 (E_RNA)
where:
Base-Base interactions energy: -155.325
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.454
local terms energy: -75.812670
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -155.625742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.625742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.625742 (E_RNA)
where:
Base-Base interactions energy: -85.747
where: short stacking energy: -44.852
Base-Backbone interact. energy: 0.752
local terms energy: -70.631559
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -163.475088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.475088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.475088 (E_RNA)
where:
Base-Base interactions energy: -98.081
where: short stacking energy: -50.420
Base-Backbone interact. energy: -0.975
local terms energy: -64.419233
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -107.277323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.277323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.277323 (E_RNA)
where:
Base-Base interactions energy: -47.671
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.118
local terms energy: -59.488437
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -135.615981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.615981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.615981 (E_RNA)
where:
Base-Base interactions energy: -78.733
where: short stacking energy: -37.982
Base-Backbone interact. energy: -0.419
local terms energy: -56.464023
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -295.107313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.107313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.107313 (E_RNA)
where:
Base-Base interactions energy: -192.002
where: short stacking energy: -86.860
Base-Backbone interact. energy: -0.007
local terms energy: -103.098548
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -29.100
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: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -291.419349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.419349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.419349 (E_RNA)
where:
Base-Base interactions energy: -184.817
where: short stacking energy: -81.153
Base-Backbone interact. energy: -2.421
local terms energy: -104.180955
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -28.955
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: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -275.263458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.263458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.263458 (E_RNA)
where:
Base-Base interactions energy: -180.863
where: short stacking energy: -84.707
Base-Backbone interact. energy: -0.241
local terms energy: -94.159300
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -246.287249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.287249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.287249 (E_RNA)
where:
Base-Base interactions energy: -157.732
where: short stacking energy: -72.473
Base-Backbone interact. energy: -0.128
local terms energy: -88.427447
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -285.919358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.919358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.919358 (E_RNA)
where:
Base-Base interactions energy: -189.620
where: short stacking energy: -85.848
Base-Backbone interact. energy: 0.788
local terms energy: -97.088136
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -27.251
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -205.863743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.863743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.863743 (E_RNA)
where:
Base-Base interactions energy: -132.776
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.114
local terms energy: -72.973947
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -165.242202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.242202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.242202 (E_RNA)
where:
Base-Base interactions energy: -91.530
where: short stacking energy: -46.673
Base-Backbone interact. energy: -0.192
local terms energy: -73.520379
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.643
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: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -144.412743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.412743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.412743 (E_RNA)
where:
Base-Base interactions energy: -72.575
where: short stacking energy: -48.123
Base-Backbone interact. energy: -1.212
local terms energy: -70.625595
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -6.848
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: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -93.008645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.008645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.008645 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -22.940
Base-Backbone interact. energy: -0.029
local terms energy: -61.679315
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -93.859106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859106 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -23.951
Base-Backbone interact. energy: 1.697
local terms energy: -55.640577
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -308.874965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.874965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.874965 (E_RNA)
where:
Base-Base interactions energy: -204.673
where: short stacking energy: -98.321
Base-Backbone interact. energy: -0.314
local terms energy: -103.887866
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -28.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -293.731291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.731291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.731291 (E_RNA)
where:
Base-Base interactions energy: -188.968
where: short stacking energy: -94.566
Base-Backbone interact. energy: -0.535
local terms energy: -104.227673
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -279.673653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.673653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.673653 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -80.825
Base-Backbone interact. energy: -0.871
local terms energy: -96.710089
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -287.658507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.658507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.658507 (E_RNA)
where:
Base-Base interactions energy: -197.469
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.049
local terms energy: -90.140547
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -28.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -274.926548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.926548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.926548 (E_RNA)
where:
Base-Base interactions energy: -191.711
where: short stacking energy: -84.462
Base-Backbone interact. energy: -0.418
local terms energy: -82.796969
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -26.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -200.130927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.130927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.130927 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.369
local terms energy: -76.071263
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -214.366455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.366455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.366455 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -44.987
Base-Backbone interact. energy: -0.192
local terms energy: -81.293169
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -116.530924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.530924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.530924 (E_RNA)
where:
Base-Base interactions energy: -56.568
where: short stacking energy: -34.739
Base-Backbone interact. energy: 3.823
local terms energy: -63.785642
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -102.859826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.859826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.859826 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.030
local terms energy: -66.160861
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -4.636
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: 411
Temperature: 1.350000
Total energy: -92.246932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246932 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -19.920
Base-Backbone interact. energy: 0.512
local terms energy: -54.288708
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: 2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -301.560672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.560672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.560672 (E_RNA)
where:
Base-Base interactions energy: -191.256
where: short stacking energy: -92.331
Base-Backbone interact. energy: -0.393
local terms energy: -109.912186
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -16.562
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: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -285.562859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.562859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.562859 (E_RNA)
where:
Base-Base interactions energy: -185.313
where: short stacking energy: -80.629
Base-Backbone interact. energy: -0.002
local terms energy: -100.248119
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -273.973592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.973592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.973592 (E_RNA)
where:
Base-Base interactions energy: -175.755
where: short stacking energy: -76.328
Base-Backbone interact. energy: -0.617
local terms energy: -97.601768
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -285.462141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.462141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.462141 (E_RNA)
where:
Base-Base interactions energy: -189.355
where: short stacking energy: -85.963
Base-Backbone interact. energy: -0.102
local terms energy: -96.004927
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -244.865580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.865580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.865580 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -69.699
Base-Backbone interact. energy: -0.209
local terms energy: -81.045767
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -179.048978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.048978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.048978 (E_RNA)
where:
Base-Base interactions energy: -115.133
where: short stacking energy: -63.238
Base-Backbone interact. energy: -0.100
local terms energy: -63.816084
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -204.303681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.303681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.303681 (E_RNA)
where:
Base-Base interactions energy: -131.685
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.233
local terms energy: -72.385015
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -193.113943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.113943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.113943 (E_RNA)
where:
Base-Base interactions energy: -112.069
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.128
local terms energy: -80.917906
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -97.537042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.537042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.537042 (E_RNA)
where:
Base-Base interactions energy: -44.481
where: short stacking energy: -41.372
Base-Backbone interact. energy: 2.790
local terms energy: -55.846059
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -92.544946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.544946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.544946 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.220
local terms energy: -63.542509
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: 1.353
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -298.975757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.975757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.975757 (E_RNA)
where:
Base-Base interactions energy: -207.808
where: short stacking energy: -92.953
Base-Backbone interact. energy: -0.166
local terms energy: -91.001949
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -10.660
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -292.178283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.178283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178283 (E_RNA)
where:
Base-Base interactions energy: -203.366
where: short stacking energy: -86.057
Base-Backbone interact. energy: -0.140
local terms energy: -88.672870
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -26.010
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -285.607245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.607245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.607245 (E_RNA)
where:
Base-Base interactions energy: -190.313
where: short stacking energy: -95.008
Base-Backbone interact. energy: -0.049
local terms energy: -95.244663
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -12.124
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: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -283.139836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.139836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.139836 (E_RNA)
where:
Base-Base interactions energy: -191.173
where: short stacking energy: -84.225
Base-Backbone interact. energy: -0.751
local terms energy: -91.216149
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -27.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -242.453339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.453339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.453339 (E_RNA)
where:
Base-Base interactions energy: -174.625
where: short stacking energy: -70.370
Base-Backbone interact. energy: 2.411
local terms energy: -70.240111
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -3.393
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -229.289769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.289769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.289769 (E_RNA)
where:
Base-Base interactions energy: -148.139
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.119
local terms energy: -81.032619
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -161.790354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790354 (E_RNA)
where:
Base-Base interactions energy: -92.217
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.189
local terms energy: -69.384947
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -191.303695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.303695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.303695 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -58.218
Base-Backbone interact. energy: -0.260
local terms energy: -73.473787
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -13.746
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -107.155021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.155021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.155021 (E_RNA)
where:
Base-Base interactions energy: -49.335
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.384
local terms energy: -57.435870
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -92.308207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.308207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.308207 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -27.074
Base-Backbone interact. energy: -0.264
local terms energy: -62.728001
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -298.571930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.571930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.571930 (E_RNA)
where:
Base-Base interactions energy: -198.050
where: short stacking energy: -94.795
Base-Backbone interact. energy: -0.216
local terms energy: -100.306528
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -13.272
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: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -282.256223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.256223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.256223 (E_RNA)
where:
Base-Base interactions energy: -188.257
where: short stacking energy: -80.995
Base-Backbone interact. energy: -0.068
local terms energy: -93.930841
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -295.142255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.142255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.142255 (E_RNA)
where:
Base-Base interactions energy: -194.970
where: short stacking energy: -85.319
Base-Backbone interact. energy: -0.054
local terms energy: -100.118254
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -30.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -280.819398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.819398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.819398 (E_RNA)
where:
Base-Base interactions energy: -192.756
where: short stacking energy: -86.862
Base-Backbone interact. energy: -0.127
local terms energy: -87.936230
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -241.847688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.847688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.847688 (E_RNA)
where:
Base-Base interactions energy: -158.796
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.145
local terms energy: -82.906300
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -19.534
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: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -204.671503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.671503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.671503 (E_RNA)
where:
Base-Base interactions energy: -126.160
where: short stacking energy: -61.726
Base-Backbone interact. energy: -0.127
local terms energy: -78.384151
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -204.974884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.974884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.974884 (E_RNA)
where:
Base-Base interactions energy: -133.970
where: short stacking energy: -58.350
Base-Backbone interact. energy: 1.796
local terms energy: -72.800768
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -173.851785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.851785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.851785 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -51.896
Base-Backbone interact. energy: 1.820
local terms energy: -71.535704
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -15.372
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: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -138.164890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.164890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.164890 (E_RNA)
where:
Base-Base interactions energy: -67.788
where: short stacking energy: -38.451
Base-Backbone interact. energy: -0.490
local terms energy: -69.887224
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -99.727949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.727949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.727949 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.301
local terms energy: -61.905015
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -297.802356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.802356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.802356 (E_RNA)
where:
Base-Base interactions energy: -209.782
where: short stacking energy: -93.187
Base-Backbone interact. energy: -0.064
local terms energy: -87.956564
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -25.383
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: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -291.754780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.754780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.754780 (E_RNA)
where:
Base-Base interactions energy: -194.904
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.400
local terms energy: -96.451257
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -25.816
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -269.813559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.813559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.813559 (E_RNA)
where:
Base-Base interactions energy: -186.715
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.390
local terms energy: -82.707869
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -23.042
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -290.105389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.105389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.105389 (E_RNA)
where:
Base-Base interactions energy: -190.783
where: short stacking energy: -83.996
Base-Backbone interact. energy: -0.921
local terms energy: -98.401007
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -233.164807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.164807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.164807 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.064
local terms energy: -80.924798
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -206.714372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.714372 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -54.356
Base-Backbone interact. energy: 1.406
local terms energy: -80.764024
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.584
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -203.680009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.680009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.680009 (E_RNA)
where:
Base-Base interactions energy: -130.256
where: short stacking energy: -55.647
Base-Backbone interact. energy: 0.396
local terms energy: -73.820048
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -187.419994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.419994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.419994 (E_RNA)
where:
Base-Base interactions energy: -124.138
where: short stacking energy: -56.917
Base-Backbone interact. energy: 1.305
local terms energy: -64.586743
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -100.731942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.731942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.731942 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -34.648
Base-Backbone interact. energy: 1.025
local terms energy: -57.422475
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -88.119652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.119652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.119652 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -29.559
Base-Backbone interact. energy: -1.601
local terms energy: -55.426626
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -305.155766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.155766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.155766 (E_RNA)
where:
Base-Base interactions energy: -204.828
where: short stacking energy: -95.113
Base-Backbone interact. energy: -0.289
local terms energy: -100.039195
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -13.129
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: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -272.930403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.930403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.930403 (E_RNA)
where:
Base-Base interactions energy: -183.348
where: short stacking energy: -86.780
Base-Backbone interact. energy: -0.323
local terms energy: -89.259864
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -26.475
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: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -286.245353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245353 (E_RNA)
where:
Base-Base interactions energy: -184.975
where: short stacking energy: -93.058
Base-Backbone interact. energy: -1.269
local terms energy: -100.000543
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -24.644
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -255.558470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.558470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.558470 (E_RNA)
where:
Base-Base interactions energy: -173.528
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.081
local terms energy: -81.949444
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -231.983656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.983656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.983656 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.220
local terms energy: -87.004236
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -193.075607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.075607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.075607 (E_RNA)
where:
Base-Base interactions energy: -113.985
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.662
local terms energy: -78.429006
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -212.622089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.622089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.622089 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -63.888
Base-Backbone interact. energy: 0.710
local terms energy: -79.071235
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -190.754297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.754297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754297 (E_RNA)
where:
Base-Base interactions energy: -119.305
where: short stacking energy: -57.733
Base-Backbone interact. energy: 0.203
local terms energy: -71.652880
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -92.896016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.896016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.896016 (E_RNA)
where:
Base-Base interactions energy: -49.777
where: short stacking energy: -33.686
Base-Backbone interact. energy: 0.143
local terms energy: -43.262158
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -12.868
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: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -96.011969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.011969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.011969 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.106
local terms energy: -62.254552
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -297.378933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.378933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.378933 (E_RNA)
where:
Base-Base interactions energy: -193.743
where: short stacking energy: -99.483
Base-Backbone interact. energy: -0.489
local terms energy: -103.146375
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -265.185067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.185067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.185067 (E_RNA)
where:
Base-Base interactions energy: -168.361
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.172
local terms energy: -96.651964
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -20.363
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: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -281.201980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.201980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.201980 (E_RNA)
where:
Base-Base interactions energy: -178.912
where: short stacking energy: -84.430
Base-Backbone interact. energy: -0.005
local terms energy: -102.285530
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -242.439157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439157 (E_RNA)
where:
Base-Base interactions energy: -151.304
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.042
local terms energy: -91.092564
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -247.850627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.850627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.850627 (E_RNA)
where:
Base-Base interactions energy: -161.417
where: short stacking energy: -77.204
Base-Backbone interact. energy: -0.349
local terms energy: -86.084813
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -22.206
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -199.343996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343996 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -48.305
Base-Backbone interact. energy: -0.173
local terms energy: -71.249469
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -188.949033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.949033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.949033 (E_RNA)
where:
Base-Base interactions energy: -112.513
where: short stacking energy: -55.668
Base-Backbone interact. energy: -0.035
local terms energy: -76.401888
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -129.221510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.221510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.221510 (E_RNA)
where:
Base-Base interactions energy: -64.258
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.123
local terms energy: -64.840512
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -197.875131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.875131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.875131 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.673
local terms energy: -70.251640
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -92.940635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.940635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.940635 (E_RNA)
where:
Base-Base interactions energy: -38.632
where: short stacking energy: -21.729
Base-Backbone interact. energy: -0.686
local terms energy: -53.623255
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: 0.849
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: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -303.570186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.570186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.570186 (E_RNA)
where:
Base-Base interactions energy: -202.433
where: short stacking energy: -96.814
Base-Backbone interact. energy: -0.044
local terms energy: -101.093042
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -260.087688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.087688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.087688 (E_RNA)
where:
Base-Base interactions energy: -178.707
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.110
local terms energy: -81.270037
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -266.786748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.786748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.786748 (E_RNA)
where:
Base-Base interactions energy: -163.327
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.128
local terms energy: -103.332052
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -247.073216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.073216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.073216 (E_RNA)
where:
Base-Base interactions energy: -157.018
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.622
local terms energy: -89.433247
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -245.260638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.260638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.260638 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.148
local terms energy: -88.327279
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -219.297271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.297271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.297271 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.669
local terms energy: -78.123779
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -123.529640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.529640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.529640 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.147
local terms energy: -64.949669
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -8.122
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: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -207.496555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.496555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.496555 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.035
local terms energy: -61.093619
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -19.916
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: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -181.547569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.547569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.547569 (E_RNA)
where:
Base-Base interactions energy: -119.741
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.192
local terms energy: -61.614416
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -98.408124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.408124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.408124 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -28.760
Base-Backbone interact. energy: 1.675
local terms energy: -71.323645
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -289.505447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.505447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.505447 (E_RNA)
where:
Base-Base interactions energy: -192.154
where: short stacking energy: -84.818
Base-Backbone interact. energy: -0.789
local terms energy: -96.562043
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -15.221
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: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -284.425543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.425543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.425543 (E_RNA)
where:
Base-Base interactions energy: -188.318
where: short stacking energy: -84.109
Base-Backbone interact. energy: -0.107
local terms energy: -96.000419
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -288.294887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.294887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.294887 (E_RNA)
where:
Base-Base interactions energy: -193.475
where: short stacking energy: -84.507
Base-Backbone interact. energy: -0.039
local terms energy: -94.780954
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -26.795
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: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -242.336956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.336956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.336956 (E_RNA)
where:
Base-Base interactions energy: -162.350
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.108
local terms energy: -79.878486
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -253.155287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.155287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.155287 (E_RNA)
where:
Base-Base interactions energy: -158.778
where: short stacking energy: -77.393
Base-Backbone interact. energy: -0.116
local terms energy: -94.261465
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -22.234
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -221.521185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.521185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.521185 (E_RNA)
where:
Base-Base interactions energy: -156.724
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.262
local terms energy: -64.534996
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -137.248904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.248904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.248904 (E_RNA)
where:
Base-Base interactions energy: -69.804
where: short stacking energy: -37.089
Base-Backbone interact. energy: -0.078
local terms energy: -67.367100
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -189.496615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.496615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.496615 (E_RNA)
where:
Base-Base interactions energy: -120.802
where: short stacking energy: -48.896
Base-Backbone interact. energy: -0.192
local terms energy: -68.503172
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -14.120
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -184.200408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.200408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.200408 (E_RNA)
where:
Base-Base interactions energy: -122.880
where: short stacking energy: -50.201
Base-Backbone interact. energy: -0.097
local terms energy: -61.223226
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -3.682
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -16.316
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: 419
Temperature: 1.350000
Total energy: -88.486667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.486667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.486667 (E_RNA)
where:
Base-Base interactions energy: -34.626
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.702
local terms energy: -53.158571
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: 0.150
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -302.134657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.134657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.134657 (E_RNA)
where:
Base-Base interactions energy: -201.188
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.027
local terms energy: -100.920246
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -304.877347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.877347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.877347 (E_RNA)
where:
Base-Base interactions energy: -204.695
where: short stacking energy: -96.118
Base-Backbone interact. energy: -0.073
local terms energy: -100.109081
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -28.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -286.611059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.611059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.611059 (E_RNA)
where:
Base-Base interactions energy: -183.174
where: short stacking energy: -90.329
Base-Backbone interact. energy: -0.617
local terms energy: -102.819496
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -28.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -227.578147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.578147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578147 (E_RNA)
where:
Base-Base interactions energy: -137.531
where: short stacking energy: -69.018
Base-Backbone interact. energy: -0.325
local terms energy: -89.722336
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -239.756240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.756240 (E_RNA)
where:
Base-Base interactions energy: -162.502
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.177
local terms energy: -77.077923
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -10.028
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: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -238.564373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.564373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.564373 (E_RNA)
where:
Base-Base interactions energy: -159.930
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.279
local terms energy: -78.356035
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -203.601308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.601308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.601308 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.163
local terms energy: -69.084715
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -157.674406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.674406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.674406 (E_RNA)
where:
Base-Base interactions energy: -81.114
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.162
local terms energy: -76.398579
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -94.413595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413595 (E_RNA)
where:
Base-Base interactions energy: -35.380
where: short stacking energy: -35.380
Base-Backbone interact. energy: -0.454
local terms energy: -58.579136
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -90.722047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.722047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.722047 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.199
local terms energy: -57.128976
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -2.725
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: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -296.382430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.382430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.382430 (E_RNA)
where:
Base-Base interactions energy: -197.764
where: short stacking energy: -92.992
Base-Backbone interact. energy: -0.102
local terms energy: -98.516493
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -26.949
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: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -284.864990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.864990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.864990 (E_RNA)
where:
Base-Base interactions energy: -184.101
where: short stacking energy: -91.536
Base-Backbone interact. energy: 0.367
local terms energy: -101.130654
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -283.967523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.967523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.967523 (E_RNA)
where:
Base-Base interactions energy: -184.314
where: short stacking energy: -82.320
Base-Backbone interact. energy: -0.006
local terms energy: -99.647609
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -24.102
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: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -254.124608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.124608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.124608 (E_RNA)
where:
Base-Base interactions energy: -182.697
where: short stacking energy: -58.341
Base-Backbone interact. energy: 1.077
local terms energy: -72.504727
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -249.398106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.398106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.398106 (E_RNA)
where:
Base-Base interactions energy: -172.685
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.369
local terms energy: -76.343941
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -13.162
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: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -234.555515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.555515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.555515 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -68.854
Base-Backbone interact. energy: -0.993
local terms energy: -83.399929
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -218.919335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.919335 (E_RNA)
where:
Base-Base interactions energy: -129.657
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.054
local terms energy: -89.207832
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -188.678989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.678989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.678989 (E_RNA)
where:
Base-Base interactions energy: -123.224
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.118
local terms energy: -65.337055
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -117.872238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.872238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.872238 (E_RNA)
where:
Base-Base interactions energy: -65.039
where: short stacking energy: -40.152
Base-Backbone interact. energy: -0.271
local terms energy: -52.562383
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -119.756853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.756853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.756853 (E_RNA)
where:
Base-Base interactions energy: -50.270
where: short stacking energy: -39.096
Base-Backbone interact. energy: -0.622
local terms energy: -68.864755
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -6.324
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: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -298.291581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.291581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.291581 (E_RNA)
where:
Base-Base interactions energy: -195.194
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.847
local terms energy: -102.250607
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -292.802736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.802736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.802736 (E_RNA)
where:
Base-Base interactions energy: -194.323
where: short stacking energy: -92.492
Base-Backbone interact. energy: -0.032
local terms energy: -98.448070
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -293.381212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.381212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.381212 (E_RNA)
where:
Base-Base interactions energy: -197.420
where: short stacking energy: -89.849
Base-Backbone interact. energy: -0.003
local terms energy: -95.958739
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -30.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -242.930415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.930415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.930415 (E_RNA)
where:
Base-Base interactions energy: -161.806
where: short stacking energy: -57.488
Base-Backbone interact. energy: -1.201
local terms energy: -79.923102
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -13.614
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: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -227.267781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.267781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.267781 (E_RNA)
where:
Base-Base interactions energy: -144.810
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.027
local terms energy: -82.430354
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -229.098482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.098482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.098482 (E_RNA)
where:
Base-Base interactions energy: -148.924
where: short stacking energy: -54.737
Base-Backbone interact. energy: -0.504
local terms energy: -79.671174
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -203.425818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.425818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.425818 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.494
local terms energy: -74.048874
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -208.176441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.176441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.176441 (E_RNA)
where:
Base-Base interactions energy: -138.873
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.170
local terms energy: -69.133729
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -94.693191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.693191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.693191 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.419
local terms energy: -63.213428
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -94.676243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.676243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.676243 (E_RNA)
where:
Base-Base interactions energy: -27.968
where: short stacking energy: -27.447
Base-Backbone interact. energy: 1.326
local terms energy: -68.034036
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -292.757055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.757055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.757055 (E_RNA)
where:
Base-Base interactions energy: -193.014
where: short stacking energy: -93.435
Base-Backbone interact. energy: 0.101
local terms energy: -99.843579
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -288.388914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.388914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.388914 (E_RNA)
where:
Base-Base interactions energy: -199.556
where: short stacking energy: -90.456
Base-Backbone interact. energy: -0.484
local terms energy: -88.349285
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -15.090
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: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -289.828260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.828260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.828260 (E_RNA)
where:
Base-Base interactions energy: -204.059
where: short stacking energy: -85.278
Base-Backbone interact. energy: -0.152
local terms energy: -85.617580
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -27.103
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: 423
Temperature: 1.050000
Total energy: -237.022580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.022580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.022580 (E_RNA)
where:
Base-Base interactions energy: -157.678
where: short stacking energy: -55.600
Base-Backbone interact. energy: -0.892
local terms energy: -78.452976
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -240.536868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.536868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.536868 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -76.985
Base-Backbone interact. energy: -0.054
local terms energy: -90.009839
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -21.845
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: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -216.568188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.568188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.568188 (E_RNA)
where:
Base-Base interactions energy: -136.529
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.306
local terms energy: -79.733216
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -159.320162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.320162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.320162 (E_RNA)
where:
Base-Base interactions energy: -84.366
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.153
local terms energy: -74.801196
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -108.631750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.631750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.631750 (E_RNA)
where:
Base-Base interactions energy: -45.625
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.119
local terms energy: -62.888478
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -191.170430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.170430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.170430 (E_RNA)
where:
Base-Base interactions energy: -118.870
where: short stacking energy: -48.685
Base-Backbone interact. energy: -0.715
local terms energy: -71.585583
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -124.300741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.300741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.300741 (E_RNA)
where:
Base-Base interactions energy: -65.674
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.089
local terms energy: -58.537770
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -304.017319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.017319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.017319 (E_RNA)
where:
Base-Base interactions energy: -199.567
where: short stacking energy: -95.814
Base-Backbone interact. energy: -0.006
local terms energy: -104.444131
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -292.703244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.703244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.703244 (E_RNA)
where:
Base-Base interactions energy: -194.006
where: short stacking energy: -89.297
Base-Backbone interact. energy: -0.005
local terms energy: -98.692913
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -27.060
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: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -292.714640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.714640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.714640 (E_RNA)
where:
Base-Base interactions energy: -194.504
where: short stacking energy: -83.174
Base-Backbone interact. energy: -0.022
local terms energy: -98.188289
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -234.170645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.170645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.170645 (E_RNA)
where:
Base-Base interactions energy: -156.632
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.147
local terms energy: -77.391451
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -13.640
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: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -234.176369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.176369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.176369 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -72.252
Base-Backbone interact. energy: -0.029
local terms energy: -81.076771
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.024
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -220.350995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.350995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.350995 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.381
local terms energy: -75.965871
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -107.853050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.853050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.853050 (E_RNA)
where:
Base-Base interactions energy: -38.027
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.108
local terms energy: -69.718216
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -122.012315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.012315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.012315 (E_RNA)
where:
Base-Base interactions energy: -58.519
where: short stacking energy: -35.313
Base-Backbone interact. energy: 1.051
local terms energy: -64.543956
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -10.739
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: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -97.767234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.767234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.767234 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.441
local terms energy: -54.937332
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: 2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -191.888334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.888334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.888334 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.131
local terms energy: -58.549361
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -13.104
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: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -300.534079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.534079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.534079 (E_RNA)
where:
Base-Base interactions energy: -204.641
where: short stacking energy: -91.767
Base-Backbone interact. energy: 1.173
local terms energy: -97.066057
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -300.562305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.562305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.562305 (E_RNA)
where:
Base-Base interactions energy: -206.303
where: short stacking energy: -91.054
Base-Backbone interact. energy: -0.043
local terms energy: -94.216560
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -23.396
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: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -280.389967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.389967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.389967 (E_RNA)
where:
Base-Base interactions energy: -181.799
where: short stacking energy: -83.572
Base-Backbone interact. energy: -0.098
local terms energy: -98.492810
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -27.237
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: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -265.663522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.663522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.663522 (E_RNA)
where:
Base-Base interactions energy: -173.452
where: short stacking energy: -84.956
Base-Backbone interact. energy: -0.651
local terms energy: -91.561034
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -227.851359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.851359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.851359 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -76.727
Base-Backbone interact. energy: -0.316
local terms energy: -84.932636
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -21.460
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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -237.815957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.815957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.815957 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.024
local terms energy: -84.077259
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -105.882640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.882640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.882640 (E_RNA)
where:
Base-Base interactions energy: -37.564
where: short stacking energy: -32.394
Base-Backbone interact. energy: -0.235
local terms energy: -68.083948
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.012
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: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -92.088579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088579 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.574
local terms energy: -62.156523
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -95.049786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.049786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.049786 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.539
local terms energy: -60.266329
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -4.311
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: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -168.343547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.343547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.343547 (E_RNA)
where:
Base-Base interactions energy: -101.818
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.423
local terms energy: -66.102875
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -304.790735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.790735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.790735 (E_RNA)
where:
Base-Base interactions energy: -203.389
where: short stacking energy: -96.715
Base-Backbone interact. energy: -0.006
local terms energy: -101.395608
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -27.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -287.823082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.823082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.823082 (E_RNA)
where:
Base-Base interactions energy: -193.291
where: short stacking energy: -90.201
Base-Backbone interact. energy: 0.485
local terms energy: -95.017331
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -289.173753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.173753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.173753 (E_RNA)
where:
Base-Base interactions energy: -193.614
where: short stacking energy: -88.367
Base-Backbone interact. energy: -0.842
local terms energy: -94.717706
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -13.677
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -245.877621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.877621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.877621 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.068
local terms energy: -78.655216
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -233.065829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.065829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.065829 (E_RNA)
where:
Base-Base interactions energy: -149.297
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.826
local terms energy: -82.943158
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -20.958
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: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -209.278474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.278474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.278474 (E_RNA)
where:
Base-Base interactions energy: -132.537
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.328
local terms energy: -76.412796
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -9.919
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -121.741980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.741980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.741980 (E_RNA)
where:
Base-Base interactions energy: -59.814
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.184
local terms energy: -61.743799
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -94.025592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.025592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.025592 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.151
local terms energy: -61.244186
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -196.139484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.139484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.139484 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.242
local terms energy: -70.538849
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -9.006
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: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -87.972222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972222 (E_RNA)
where:
Base-Base interactions energy: -23.074
where: short stacking energy: -18.222
Base-Backbone interact. energy: 0.665
local terms energy: -65.563458
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -1.209
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: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -303.343795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.343795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.343795 (E_RNA)
where:
Base-Base interactions energy: -213.002
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.058
local terms energy: -90.283692
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -294.724458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.724458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.724458 (E_RNA)
where:
Base-Base interactions energy: -200.604
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.448
local terms energy: -93.671875
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -291.352463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.352463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.352463 (E_RNA)
where:
Base-Base interactions energy: -193.108
where: short stacking energy: -88.763
Base-Backbone interact. energy: -0.006
local terms energy: -98.238521
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -29.201
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: 427
Temperature: 1.050000
Total energy: -257.202149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.202149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.202149 (E_RNA)
where:
Base-Base interactions energy: -165.242
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.072
local terms energy: -91.888009
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -23.517
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: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -233.155237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.155237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.155237 (E_RNA)
where:
Base-Base interactions energy: -143.912
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.199
local terms energy: -89.044108
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -193.562761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.562761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562761 (E_RNA)
where:
Base-Base interactions energy: -117.936
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.222
local terms energy: -75.404620
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -12.241
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: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -114.013968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.013968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.013968 (E_RNA)
where:
Base-Base interactions energy: -45.864
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.790
local terms energy: -67.360058
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -187.870000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.870000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.870000 (E_RNA)
where:
Base-Base interactions energy: -118.159
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.107
local terms energy: -69.603846
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.444
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -97.330590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.330590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.330590 (E_RNA)
where:
Base-Base interactions energy: -36.361
where: short stacking energy: -32.193
Base-Backbone interact. energy: 1.100
local terms energy: -62.070038
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -95.032403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.032403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.032403 (E_RNA)
where:
Base-Base interactions energy: -35.882
where: short stacking energy: -28.326
Base-Backbone interact. energy: -0.213
local terms energy: -58.937274
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -308.390221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.390221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.390221 (E_RNA)
where:
Base-Base interactions energy: -204.107
where: short stacking energy: -93.184
Base-Backbone interact. energy: -0.462
local terms energy: -103.821649
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -27.572
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -301.119985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.119985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.119985 (E_RNA)
where:
Base-Base interactions energy: -203.314
where: short stacking energy: -89.291
Base-Backbone interact. energy: -0.172
local terms energy: -97.633740
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -25.682
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: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -288.978731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.978731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.978731 (E_RNA)
where:
Base-Base interactions energy: -197.216
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.203
local terms energy: -91.559933
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -232.757666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.757666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.757666 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.043
local terms energy: -83.898071
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -8.934
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: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -231.910109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.910109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.910109 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.810
local terms energy: -90.362110
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -19.577
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -179.315973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315973 (E_RNA)
where:
Base-Base interactions energy: -100.964
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.331
local terms energy: -78.021035
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -191.893311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.893311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893311 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.209
local terms energy: -74.798419
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -13.561
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -109.468086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.468086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.468086 (E_RNA)
where:
Base-Base interactions energy: -45.517
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.654
local terms energy: -63.297009
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -106.911274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.911274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.911274 (E_RNA)
where:
Base-Base interactions energy: -51.381
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.165
local terms energy: -55.365608
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.461
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -98.656715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.656715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.656715 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.971
local terms energy: -60.459915
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -302.749737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.749737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.749737 (E_RNA)
where:
Base-Base interactions energy: -208.408
where: short stacking energy: -88.461
Base-Backbone interact. energy: -0.168
local terms energy: -94.173601
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -23.887
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: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -302.074146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.074146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.074146 (E_RNA)
where:
Base-Base interactions energy: -200.346
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.226
local terms energy: -101.501977
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -26.248
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -291.756153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.756153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.756153 (E_RNA)
where:
Base-Base interactions energy: -197.971
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.040
local terms energy: -93.745279
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -16.544
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: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -254.404689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.404689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.404689 (E_RNA)
where:
Base-Base interactions energy: -166.481
where: short stacking energy: -76.156
Base-Backbone interact. energy: -1.186
local terms energy: -86.737970
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -24.776
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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -222.933926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.933926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.933926 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -71.840
Base-Backbone interact. energy: -0.118
local terms energy: -75.917739
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -200.426868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.426868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.426868 (E_RNA)
where:
Base-Base interactions energy: -131.720
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.356
local terms energy: -68.350974
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -195.497370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.497370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.497370 (E_RNA)
where:
Base-Base interactions energy: -120.057
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.180
local terms energy: -75.260499
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -15.830
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: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -115.292036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.292036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.292036 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -40.214
Base-Backbone interact. energy: -0.193
local terms energy: -63.834903
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -96.948347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.948347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.948347 (E_RNA)
where:
Base-Base interactions energy: -51.051
where: short stacking energy: -40.481
Base-Backbone interact. energy: -0.339
local terms energy: -45.558705
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -3.308
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -91.095342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095342 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -28.242
Base-Backbone interact. energy: -0.350
local terms energy: -59.689658
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -301.658606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.658606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.658606 (E_RNA)
where:
Base-Base interactions energy: -206.836
where: short stacking energy: -79.688
Base-Backbone interact. energy: -1.031
local terms energy: -93.791391
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -21.860
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: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -302.427945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.427945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.427945 (E_RNA)
where:
Base-Base interactions energy: -201.209
where: short stacking energy: -87.138
Base-Backbone interact. energy: -0.003
local terms energy: -101.215511
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -25.659
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -290.024667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.024667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.024667 (E_RNA)
where:
Base-Base interactions energy: -198.536
where: short stacking energy: -89.192
Base-Backbone interact. energy: -0.299
local terms energy: -91.189926
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -28.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -258.066526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.066526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.066526 (E_RNA)
where:
Base-Base interactions energy: -159.727
where: short stacking energy: -79.294
Base-Backbone interact. energy: 0.164
local terms energy: -98.503748
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -26.628
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -216.327679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.327679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.327679 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.127
local terms energy: -82.740800
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -217.455409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.455409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.455409 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.019
local terms energy: -80.643683
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -14.966
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: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -220.877488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.877488 (E_RNA)
where:
Base-Base interactions energy: -140.602
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.144
local terms energy: -80.130789
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -19.666
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: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -99.809765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.809765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.809765 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.711
local terms energy: -56.571432
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -97.267932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.267932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.267932 (E_RNA)
where:
Base-Base interactions energy: -41.056
where: short stacking energy: -17.563
Base-Backbone interact. energy: -0.704
local terms energy: -55.507979
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -90.961502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961502 (E_RNA)
where:
Base-Base interactions energy: -27.570
where: short stacking energy: -18.762
Base-Backbone interact. energy: -0.589
local terms energy: -62.802344
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: 3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -308.071589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.071589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.071589 (E_RNA)
where:
Base-Base interactions energy: -209.189
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.082
local terms energy: -98.799970
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -297.142988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.142988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.142988 (E_RNA)
where:
Base-Base interactions energy: -193.287
where: short stacking energy: -95.249
Base-Backbone interact. energy: -0.076
local terms energy: -103.779975
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -29.816
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -281.380405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.380405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.380405 (E_RNA)
where:
Base-Base interactions energy: -183.300
where: short stacking energy: -88.569
Base-Backbone interact. energy: -0.001
local terms energy: -98.078932
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -270.781819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.781819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.781819 (E_RNA)
where:
Base-Base interactions energy: -179.892
where: short stacking energy: -77.493
Base-Backbone interact. energy: -0.752
local terms energy: -90.138477
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -225.389342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.389342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.389342 (E_RNA)
where:
Base-Base interactions energy: -145.470
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.009
local terms energy: -79.910385
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -11.912
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: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -224.116700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.116700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.116700 (E_RNA)
where:
Base-Base interactions energy: -144.209
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.220
local terms energy: -79.687882
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -210.649902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.649902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.649902 (E_RNA)
where:
Base-Base interactions energy: -130.100
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.244
local terms energy: -80.306015
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -124.563408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.563408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.563408 (E_RNA)
where:
Base-Base interactions energy: -69.419
where: short stacking energy: -37.641
Base-Backbone interact. energy: 1.889
local terms energy: -57.033659
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -157.838266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.838266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.838266 (E_RNA)
where:
Base-Base interactions energy: -90.258
where: short stacking energy: -36.984
Base-Backbone interact. energy: 3.555
local terms energy: -71.134619
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.715
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -102.595546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595546 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -35.101
Base-Backbone interact. energy: -0.656
local terms energy: -61.138252
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -291.994675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.994675 (E_RNA)
where:
Base-Base interactions energy: -192.773
where: short stacking energy: -92.182
Base-Backbone interact. energy: 0.035
local terms energy: -99.256536
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -306.856074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.856074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.856074 (E_RNA)
where:
Base-Base interactions energy: -204.161
where: short stacking energy: -87.205
Base-Backbone interact. energy: 0.499
local terms energy: -103.194662
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -282.716262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.716262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.716262 (E_RNA)
where:
Base-Base interactions energy: -192.754
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.003
local terms energy: -89.959464
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -24.387
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: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -282.418796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.418796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.418796 (E_RNA)
where:
Base-Base interactions energy: -187.996
where: short stacking energy: -89.467
Base-Backbone interact. energy: -0.293
local terms energy: -94.130294
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -17.170
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: 432
Temperature: 1.100000
Total energy: -202.005359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.005359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.005359 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -52.541
Base-Backbone interact. energy: -0.382
local terms energy: -79.139422
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -223.280890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.280890 (E_RNA)
where:
Base-Base interactions energy: -153.132
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.064
local terms energy: -70.084965
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -224.011749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011749 (E_RNA)
where:
Base-Base interactions energy: -138.813
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.214
local terms energy: -84.984669
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -131.151240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.151240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.151240 (E_RNA)
where:
Base-Base interactions energy: -69.047
where: short stacking energy: -46.261
Base-Backbone interact. energy: 0.578
local terms energy: -62.682875
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -8.744
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: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -156.604860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.604860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.604860 (E_RNA)
where:
Base-Base interactions energy: -95.409
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.151
local terms energy: -61.045099
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -97.090576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.090576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.090576 (E_RNA)
where:
Base-Base interactions energy: -25.738
where: short stacking energy: -25.738
Base-Backbone interact. energy: -0.363
local terms energy: -70.990418
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -7.962
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: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -300.908678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.908678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.908678 (E_RNA)
where:
Base-Base interactions energy: -207.749
where: short stacking energy: -82.574
Base-Backbone interact. energy: -0.528
local terms energy: -92.631908
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -298.515948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.515948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.515948 (E_RNA)
where:
Base-Base interactions energy: -202.294
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.125
local terms energy: -96.097388
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -246.702119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.702119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.702119 (E_RNA)
where:
Base-Base interactions energy: -165.271
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.264
local terms energy: -81.167281
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -15.762
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: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -269.046162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.046162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.046162 (E_RNA)
where:
Base-Base interactions energy: -183.330
where: short stacking energy: -83.590
Base-Backbone interact. energy: -0.326
local terms energy: -85.390863
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -233.280672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.280672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.280672 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.135
local terms energy: -83.294288
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -255.617170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.617170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.617170 (E_RNA)
where:
Base-Base interactions energy: -168.774
where: short stacking energy: -66.875
Base-Backbone interact. energy: 0.048
local terms energy: -86.891967
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -234.430218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.430218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.430218 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -68.996
Base-Backbone interact. energy: -0.098
local terms energy: -88.632604
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -201.925572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925572 (E_RNA)
where:
Base-Base interactions energy: -136.762
where: short stacking energy: -60.712
Base-Backbone interact. energy: -0.105
local terms energy: -65.058550
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -113.617085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.617085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.617085 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.007
local terms energy: -69.486150
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -88.964781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964781 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.241
local terms energy: -55.809765
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: 0.043
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: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -310.856375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.856375 (E_RNA)
where:
Base-Base interactions energy: -214.326
where: short stacking energy: -80.792
Base-Backbone interact. energy: -0.774
local terms energy: -95.756201
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -25.887
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: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -294.466687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.466687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.466687 (E_RNA)
where:
Base-Base interactions energy: -207.455
where: short stacking energy: -91.076
Base-Backbone interact. energy: -0.321
local terms energy: -86.690840
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -26.983
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: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -255.108256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.108256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.108256 (E_RNA)
where:
Base-Base interactions energy: -165.340
where: short stacking energy: -73.648
Base-Backbone interact. energy: -0.311
local terms energy: -89.457191
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -242.955544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.955544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.955544 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.197
local terms energy: -88.078341
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -215.308949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.308949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.308949 (E_RNA)
where:
Base-Base interactions energy: -139.689
where: short stacking energy: -58.726
Base-Backbone interact. energy: -0.042
local terms energy: -75.578194
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -214.440870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440870 (E_RNA)
where:
Base-Base interactions energy: -137.192
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.152
local terms energy: -77.096682
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -14.982
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: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -211.349731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.349731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.349731 (E_RNA)
where:
Base-Base interactions energy: -133.615
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.741
local terms energy: -76.993233
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -16.581
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: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -206.911950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.911950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.911950 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -62.291
Base-Backbone interact. energy: -1.480
local terms energy: -79.175219
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -93.996185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.996185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.996185 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.104
local terms energy: -51.893635
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -110.038151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.038151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.038151 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -42.591
Base-Backbone interact. energy: 1.396
local terms energy: -68.341371
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -7.582
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: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -308.070721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.070721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.070721 (E_RNA)
where:
Base-Base interactions energy: -209.305
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.973
local terms energy: -97.792620
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -14.491
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: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -300.204534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.204534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.204534 (E_RNA)
where:
Base-Base interactions energy: -204.568
where: short stacking energy: -93.633
Base-Backbone interact. energy: -0.012
local terms energy: -95.625299
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -25.669
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: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -251.658659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.658659 (E_RNA)
where:
Base-Base interactions energy: -156.923
where: short stacking energy: -80.952
Base-Backbone interact. energy: -0.004
local terms energy: -94.731374
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -264.404616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.404616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.404616 (E_RNA)
where:
Base-Base interactions energy: -177.258
where: short stacking energy: -77.213
Base-Backbone interact. energy: -0.007
local terms energy: -87.139248
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -237.529643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.529643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.529643 (E_RNA)
where:
Base-Base interactions energy: -153.939
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.579
local terms energy: -83.011764
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -226.555947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.555947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.555947 (E_RNA)
where:
Base-Base interactions energy: -144.421
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.222
local terms energy: -81.912927
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.027
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: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -204.560650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560650 (E_RNA)
where:
Base-Base interactions energy: -123.084
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.796
local terms energy: -80.680352
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -213.841268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.841268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841268 (E_RNA)
where:
Base-Base interactions energy: -133.461
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.090
local terms energy: -80.289623
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -105.808311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.808311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.808311 (E_RNA)
where:
Base-Base interactions energy: -38.621
where: short stacking energy: -32.108
Base-Backbone interact. energy: -0.379
local terms energy: -66.809080
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -91.737074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737074 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -15.866
Base-Backbone interact. energy: -0.459
local terms energy: -54.984309
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: 5.425
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: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -308.706654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.706654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.706654 (E_RNA)
where:
Base-Base interactions energy: -201.639
where: short stacking energy: -92.908
Base-Backbone interact. energy: -0.109
local terms energy: -106.959044
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -31.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -295.220733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.220733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.220733 (E_RNA)
where:
Base-Base interactions energy: -208.366
where: short stacking energy: -90.266
Base-Backbone interact. energy: -0.439
local terms energy: -86.416107
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -24.179
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: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -282.855454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.855454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.855454 (E_RNA)
where:
Base-Base interactions energy: -187.027
where: short stacking energy: -83.357
Base-Backbone interact. energy: -0.004
local terms energy: -95.824819
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -27.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -258.160019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.160019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.160019 (E_RNA)
where:
Base-Base interactions energy: -170.265
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.086
local terms energy: -87.809796
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -228.526314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.526314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.526314 (E_RNA)
where:
Base-Base interactions energy: -147.704
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.187
local terms energy: -80.634800
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -227.297514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.297514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.297514 (E_RNA)
where:
Base-Base interactions energy: -148.105
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.396
local terms energy: -78.796972
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -12.328
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: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -211.986497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.986497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.986497 (E_RNA)
where:
Base-Base interactions energy: -157.297
where: short stacking energy: -55.449
Base-Backbone interact. energy: -0.327
local terms energy: -54.362202
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -182.897662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.897662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.897662 (E_RNA)
where:
Base-Base interactions energy: -106.866
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.463
local terms energy: -75.568897
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -8.343
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: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -100.169906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169906 (E_RNA)
where:
Base-Base interactions energy: -44.343
where: short stacking energy: -35.520
Base-Backbone interact. energy: -0.343
local terms energy: -55.484563
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -101.758788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.758788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.758788 (E_RNA)
where:
Base-Base interactions energy: -44.339
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.288
local terms energy: -57.131390
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -288.209731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.209731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.209731 (E_RNA)
where:
Base-Base interactions energy: -192.869
where: short stacking energy: -86.540
Base-Backbone interact. energy: -0.684
local terms energy: -94.656676
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -16.043
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -295.692941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.692941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.692941 (E_RNA)
where:
Base-Base interactions energy: -204.547
where: short stacking energy: -89.764
Base-Backbone interact. energy: -0.040
local terms energy: -91.105515
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -279.343101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.343101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.343101 (E_RNA)
where:
Base-Base interactions energy: -180.194
where: short stacking energy: -96.740
Base-Backbone interact. energy: 1.026
local terms energy: -100.175078
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -273.876846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.876846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.876846 (E_RNA)
where:
Base-Base interactions energy: -182.083
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.020
local terms energy: -91.773742
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -240.010034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.010034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.010034 (E_RNA)
where:
Base-Base interactions energy: -147.960
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.106
local terms energy: -91.944285
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -219.690154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690154 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.134
local terms energy: -80.118574
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -213.791646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.791646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.791646 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.270
local terms energy: -82.467252
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -196.348673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.348673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.348673 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -55.954
Base-Backbone interact. energy: -0.199
local terms energy: -73.333609
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -101.809155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.809155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.809155 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -39.538
Base-Backbone interact. energy: -0.603
local terms energy: -61.668033
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -4.675
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: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -81.727599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727599 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.145
local terms energy: -46.113674
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: 4.175
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: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -295.660821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.660821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.660821 (E_RNA)
where:
Base-Base interactions energy: -190.812
where: short stacking energy: -86.982
Base-Backbone interact. energy: -0.020
local terms energy: -104.829021
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -27.758
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: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -283.843756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.843756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.843756 (E_RNA)
where:
Base-Base interactions energy: -194.211
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.183
local terms energy: -89.449672
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -285.942182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.942182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.942182 (E_RNA)
where:
Base-Base interactions energy: -188.415
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.547
local terms energy: -96.979879
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -258.744408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.744408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.744408 (E_RNA)
where:
Base-Base interactions energy: -160.609
where: short stacking energy: -82.178
Base-Backbone interact. energy: -0.126
local terms energy: -98.009911
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -229.210049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.210049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.210049 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.063
local terms energy: -81.893730
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -20.356
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: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -230.684493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.684493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.684493 (E_RNA)
where:
Base-Base interactions energy: -146.779
where: short stacking energy: -72.203
Base-Backbone interact. energy: -0.622
local terms energy: -83.283945
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -11.682
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: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -214.602675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.602675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602675 (E_RNA)
where:
Base-Base interactions energy: -135.184
where: short stacking energy: -68.422
Base-Backbone interact. energy: -0.051
local terms energy: -79.367899
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -179.903760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.903760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.903760 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.208
local terms energy: -66.980658
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -95.236209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.236209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.236209 (E_RNA)
where:
Base-Base interactions energy: -25.499
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.087
local terms energy: -69.650448
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -105.290491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.290491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.290491 (E_RNA)
where:
Base-Base interactions energy: -48.717
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.337
local terms energy: -56.236676
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -292.481827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.481827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.481827 (E_RNA)
where:
Base-Base interactions energy: -192.250
where: short stacking energy: -86.953
Base-Backbone interact. energy: -2.168
local terms energy: -98.064225
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -27.089
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: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -290.068259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.068259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.068259 (E_RNA)
where:
Base-Base interactions energy: -189.652
where: short stacking energy: -85.843
Base-Backbone interact. energy: -0.035
local terms energy: -100.380946
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -27.865
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: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -283.374077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.374077 (E_RNA)
where:
Base-Base interactions energy: -189.685
where: short stacking energy: -86.412
Base-Backbone interact. energy: -0.994
local terms energy: -92.695355
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -224.670167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.670167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.670167 (E_RNA)
where:
Base-Base interactions energy: -144.118
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.196
local terms energy: -80.356077
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -229.515772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.515772 (E_RNA)
where:
Base-Base interactions energy: -143.219
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.300
local terms energy: -85.996532
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -237.005604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.005604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.005604 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -68.052
Base-Backbone interact. energy: -0.792
local terms energy: -83.363936
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -200.155097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.155097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.155097 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.320
local terms energy: -74.667163
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -18.957
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: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -179.408935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.408935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.408935 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.182
local terms energy: -60.758327
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -99.075931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075931 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.568
local terms energy: -59.413988
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -86.754473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.754473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.754473 (E_RNA)
where:
Base-Base interactions energy: -37.158
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.172
local terms energy: -49.424692
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -1.450
tors. eta vs tors. theta energy: 1.482
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -302.560296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.560296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.560296 (E_RNA)
where:
Base-Base interactions energy: -197.636
where: short stacking energy: -93.426
Base-Backbone interact. energy: -0.067
local terms energy: -104.857272
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -29.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -298.096577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.096577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.096577 (E_RNA)
where:
Base-Base interactions energy: -191.435
where: short stacking energy: -90.311
Base-Backbone interact. energy: -0.128
local terms energy: -106.533699
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -31.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -291.115021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.115021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.115021 (E_RNA)
where:
Base-Base interactions energy: -192.337
where: short stacking energy: -87.205
Base-Backbone interact. energy: -0.678
local terms energy: -98.099813
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -28.795
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: 440
Temperature: 1.050000
Total energy: -212.172841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.172841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.172841 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.204
local terms energy: -71.618021
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -212.439189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.439189 (E_RNA)
where:
Base-Base interactions energy: -136.572
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.151
local terms energy: -75.715636
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -18.583
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: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -241.306248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.306248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.306248 (E_RNA)
where:
Base-Base interactions energy: -157.788
where: short stacking energy: -74.951
Base-Backbone interact. energy: 1.201
local terms energy: -84.718817
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.905
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: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -218.102827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.102827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.102827 (E_RNA)
where:
Base-Base interactions energy: -141.326
where: short stacking energy: -51.641
Base-Backbone interact. energy: 1.516
local terms energy: -78.292962
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -196.194931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.194931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.194931 (E_RNA)
where:
Base-Base interactions energy: -119.842
where: short stacking energy: -51.223
Base-Backbone interact. energy: -0.137
local terms energy: -76.216533
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -12.573
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: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -98.464424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.464424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.464424 (E_RNA)
where:
Base-Base interactions energy: -45.421
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.508
local terms energy: -52.535853
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.986
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: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -90.987564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.987564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.987564 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -16.184
Base-Backbone interact. energy: -0.118
local terms energy: -56.500600
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: 0.776
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: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -303.106982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.106982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.106982 (E_RNA)
where:
Base-Base interactions energy: -200.514
where: short stacking energy: -98.477
Base-Backbone interact. energy: -3.076
local terms energy: -99.517197
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -301.900551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.900551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.900551 (E_RNA)
where:
Base-Base interactions energy: -195.135
where: short stacking energy: -94.599
Base-Backbone interact. energy: -0.411
local terms energy: -106.354802
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -15.509
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -285.195360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.195360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.195360 (E_RNA)
where:
Base-Base interactions energy: -195.397
where: short stacking energy: -84.772
Base-Backbone interact. energy: -0.062
local terms energy: -89.736254
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -254.537254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.537254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.537254 (E_RNA)
where:
Base-Base interactions energy: -162.431
where: short stacking energy: -73.381
Base-Backbone interact. energy: -0.662
local terms energy: -91.443499
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -215.700542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.700542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.700542 (E_RNA)
where:
Base-Base interactions energy: -143.093
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.158
local terms energy: -72.449795
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -219.580158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.580158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.580158 (E_RNA)
where:
Base-Base interactions energy: -133.253
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.214
local terms energy: -86.112689
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -203.836877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.836877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.836877 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.122
local terms energy: -79.540678
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -197.415966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.415966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.415966 (E_RNA)
where:
Base-Base interactions energy: -133.024
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.194
local terms energy: -64.198193
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -104.985459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.985459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.985459 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.926
local terms energy: -65.530050
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -11.553
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: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -88.213756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213756 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.415
local terms energy: -55.298636
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -304.003978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.003978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.003978 (E_RNA)
where:
Base-Base interactions energy: -201.948
where: short stacking energy: -87.527
Base-Backbone interact. energy: -0.087
local terms energy: -101.968874
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -29.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -296.795466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.795466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.795466 (E_RNA)
where:
Base-Base interactions energy: -192.969
where: short stacking energy: -89.996
Base-Backbone interact. energy: -0.682
local terms energy: -103.144585
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -30.967
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: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -284.428175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.428175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.428175 (E_RNA)
where:
Base-Base interactions energy: -199.612
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.169
local terms energy: -84.647423
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -281.725252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.725252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.725252 (E_RNA)
where:
Base-Base interactions energy: -187.625
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.426
local terms energy: -93.674483
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -27.769
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: 442
Temperature: 1.100000
Total energy: -225.348388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.348388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.348388 (E_RNA)
where:
Base-Base interactions energy: -145.474
where: short stacking energy: -67.101
Base-Backbone interact. energy: 0.201
local terms energy: -80.075041
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -229.093484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.093484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.093484 (E_RNA)
where:
Base-Base interactions energy: -157.149
where: short stacking energy: -70.483
Base-Backbone interact. energy: 0.082
local terms energy: -72.026395
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -217.971437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.971437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971437 (E_RNA)
where:
Base-Base interactions energy: -129.887
where: short stacking energy: -62.460
Base-Backbone interact. energy: -0.034
local terms energy: -88.051140
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -199.857259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857259 (E_RNA)
where:
Base-Base interactions energy: -126.228
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.098
local terms energy: -73.531270
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -97.871117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.871117 (E_RNA)
where:
Base-Base interactions energy: -46.117
where: short stacking energy: -42.056
Base-Backbone interact. energy: 1.438
local terms energy: -53.192205
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -94.414578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.414578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.414578 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.608
local terms energy: -59.530537
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: 3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -300.647917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.647917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.647917 (E_RNA)
where:
Base-Base interactions energy: -199.450
where: short stacking energy: -91.821
Base-Backbone interact. energy: -0.044
local terms energy: -101.153634
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -15.697
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: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -300.545010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.545010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.545010 (E_RNA)
where:
Base-Base interactions energy: -198.411
where: short stacking energy: -94.625
Base-Backbone interact. energy: -0.615
local terms energy: -101.519280
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -30.008
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: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -264.330350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.330350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.330350 (E_RNA)
where:
Base-Base interactions energy: -174.375
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.004
local terms energy: -89.950722
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -280.303027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.303027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.303027 (E_RNA)
where:
Base-Base interactions energy: -182.113
where: short stacking energy: -82.711
Base-Backbone interact. energy: -0.010
local terms energy: -98.180587
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -13.258
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -234.535558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.535558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.535558 (E_RNA)
where:
Base-Base interactions energy: -148.422
where: short stacking energy: -73.049
Base-Backbone interact. energy: 0.508
local terms energy: -86.621351
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -226.794509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.794509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.794509 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.034
local terms energy: -80.457386
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -206.054557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.054557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.054557 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.961
local terms energy: -71.516843
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -17.488
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: 443
Temperature: 1.250000
Total energy: -199.194063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194063 (E_RNA)
where:
Base-Base interactions energy: -127.593
where: short stacking energy: -48.225
Base-Backbone interact. energy: 5.059
local terms energy: -76.659115
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -13.115
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: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -95.838815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.838815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.838815 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -35.589
Base-Backbone interact. energy: -0.634
local terms energy: -56.283074
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.973
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: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -94.107096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.107096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.107096 (E_RNA)
where:
Base-Base interactions energy: -25.953
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.054
local terms energy: -68.099783
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -307.587395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.587395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.587395 (E_RNA)
where:
Base-Base interactions energy: -197.839
where: short stacking energy: -101.251
Base-Backbone interact. energy: -0.621
local terms energy: -109.126848
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -29.999
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -297.903226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.903226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.903226 (E_RNA)
where:
Base-Base interactions energy: -201.245
where: short stacking energy: -83.268
Base-Backbone interact. energy: 0.145
local terms energy: -96.803073
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -267.429108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.429108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.429108 (E_RNA)
where:
Base-Base interactions energy: -177.637
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.006
local terms energy: -89.786021
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -14.427
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: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -224.402285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.402285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.402285 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -65.019
Base-Backbone interact. energy: -0.052
local terms energy: -90.449637
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -232.726052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.726052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.726052 (E_RNA)
where:
Base-Base interactions energy: -148.530
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.009
local terms energy: -84.186699
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -21.839
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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -241.923334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.923334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.923334 (E_RNA)
where:
Base-Base interactions energy: -162.115
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.092
local terms energy: -79.716117
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -219.761114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.761114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.761114 (E_RNA)
where:
Base-Base interactions energy: -139.967
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.576
local terms energy: -79.218528
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -13.453
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: 444
Temperature: 1.250000
Total energy: -215.945180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.945180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.945180 (E_RNA)
where:
Base-Base interactions energy: -133.621
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.157
local terms energy: -82.167135
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -10.860
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: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -91.909059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909059 (E_RNA)
where:
Base-Base interactions energy: -40.681
where: short stacking energy: -30.527
Base-Backbone interact. energy: -0.197
local terms energy: -51.031131
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -92.486864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.486864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.486864 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.388
local terms energy: -59.035380
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: 3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -302.460942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.460942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.460942 (E_RNA)
where:
Base-Base interactions energy: -192.515
where: short stacking energy: -89.694
Base-Backbone interact. energy: -0.666
local terms energy: -109.280211
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -293.248878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.248878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.248878 (E_RNA)
where:
Base-Base interactions energy: -188.191
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.012
local terms energy: -105.045948
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -27.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -279.630447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.630447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.630447 (E_RNA)
where:
Base-Base interactions energy: -185.371
where: short stacking energy: -81.000
Base-Backbone interact. energy: -0.076
local terms energy: -94.183254
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -10.101
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -206.616295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616295 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -50.733
Base-Backbone interact. energy: -1.095
local terms energy: -72.404277
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -190.234819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.234819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.234819 (E_RNA)
where:
Base-Base interactions energy: -126.333
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.509
local terms energy: -63.392955
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -219.165192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.165192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.165192 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.601
local terms energy: -77.602438
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -18.381
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -236.764148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.764148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.764148 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.030
local terms energy: -84.727215
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -13.993
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: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -211.990637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990637 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.980
local terms energy: -79.202371
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.304
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: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -103.039498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.039498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.039498 (E_RNA)
where:
Base-Base interactions energy: -50.996
where: short stacking energy: -17.548
Base-Backbone interact. energy: -0.197
local terms energy: -51.846322
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -106.285007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.285007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.285007 (E_RNA)
where:
Base-Base interactions energy: -44.820
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.106
local terms energy: -61.359043
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -317.259668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.259668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.259668 (E_RNA)
where:
Base-Base interactions energy: -205.885
where: short stacking energy: -97.465
Base-Backbone interact. energy: -3.724
local terms energy: -107.651311
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -30.111
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -294.185915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.185915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.185915 (E_RNA)
where:
Base-Base interactions energy: -197.450
where: short stacking energy: -91.272
Base-Backbone interact. energy: -0.009
local terms energy: -96.726592
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -22.524
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: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -275.799979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.799979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.799979 (E_RNA)
where:
Base-Base interactions energy: -182.037
where: short stacking energy: -81.696
Base-Backbone interact. energy: -0.145
local terms energy: -93.617770
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -24.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -236.033501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.033501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.033501 (E_RNA)
where:
Base-Base interactions energy: -147.745
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.157
local terms energy: -88.131283
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -235.503038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.503038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.503038 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.283
local terms energy: -82.624578
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -236.428835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.428835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.428835 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.724
local terms energy: -84.173879
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -201.439359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.439359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.439359 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.620
local terms energy: -67.033412
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -202.651957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.651957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.651957 (E_RNA)
where:
Base-Base interactions energy: -126.638
where: short stacking energy: -55.034
Base-Backbone interact. energy: -0.205
local terms energy: -75.808899
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -95.397879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397879 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -32.725
Base-Backbone interact. energy: -0.153
local terms energy: -60.624866
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -87.143816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143816 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -25.631
Base-Backbone interact. energy: -0.772
local terms energy: -51.728400
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -10.518
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: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -298.119359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.119359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.119359 (E_RNA)
where:
Base-Base interactions energy: -195.547
where: short stacking energy: -97.400
Base-Backbone interact. energy: -1.445
local terms energy: -101.127146
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -27.432
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -289.192818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.192818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.192818 (E_RNA)
where:
Base-Base interactions energy: -194.280
where: short stacking energy: -86.734
Base-Backbone interact. energy: -0.118
local terms energy: -94.794399
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.147
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: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -279.159852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.159852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.159852 (E_RNA)
where:
Base-Base interactions energy: -186.287
where: short stacking energy: -78.803
Base-Backbone interact. energy: -0.021
local terms energy: -92.851629
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -247.862078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.862078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.862078 (E_RNA)
where:
Base-Base interactions energy: -164.478
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.066
local terms energy: -83.317890
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.395
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: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -209.543069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.543069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.543069 (E_RNA)
where:
Base-Base interactions energy: -138.443
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.099
local terms energy: -71.001530
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -248.299830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.299830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.299830 (E_RNA)
where:
Base-Base interactions energy: -176.387
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.029
local terms energy: -71.884343
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -203.368274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.368274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.368274 (E_RNA)
where:
Base-Base interactions energy: -129.479
where: short stacking energy: -52.251
Base-Backbone interact. energy: -0.155
local terms energy: -73.734141
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -11.102
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: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -195.483382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.483382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483382 (E_RNA)
where:
Base-Base interactions energy: -117.138
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.128
local terms energy: -78.217353
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -96.862494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.862494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.862494 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -21.433
Base-Backbone interact. energy: -0.186
local terms energy: -53.928099
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -0.984
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: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -106.441354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.441354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.441354 (E_RNA)
where:
Base-Base interactions energy: -52.687
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.438
local terms energy: -53.316098
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: 2.972
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: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -292.015358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.015358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.015358 (E_RNA)
where:
Base-Base interactions energy: -195.122
where: short stacking energy: -91.993
Base-Backbone interact. energy: -0.063
local terms energy: -96.830074
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -25.671
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: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -299.893287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.893287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.893287 (E_RNA)
where:
Base-Base interactions energy: -195.269
where: short stacking energy: -95.077
Base-Backbone interact. energy: -0.307
local terms energy: -104.317253
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -31.664
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: -269.333184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.333184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.333184 (E_RNA)
where:
Base-Base interactions energy: -184.504
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.029
local terms energy: -84.800010
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -14.646
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: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -247.194660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.194660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.194660 (E_RNA)
where:
Base-Base interactions energy: -170.729
where: short stacking energy: -66.178
Base-Backbone interact. energy: -0.166
local terms energy: -76.299662
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -16.437
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: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -250.252614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.252614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.252614 (E_RNA)
where:
Base-Base interactions energy: -164.876
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.871
local terms energy: -84.505435
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -199.389086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.389086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.389086 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.553
local terms energy: -62.582111
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -201.786778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.786778 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -62.273
Base-Backbone interact. energy: 1.678
local terms energy: -72.769309
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -9.902
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: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -156.943835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.943835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.943835 (E_RNA)
where:
Base-Base interactions energy: -88.899
where: short stacking energy: -45.719
Base-Backbone interact. energy: -0.012
local terms energy: -68.033174
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -7.516
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: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -98.917383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.917383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.917383 (E_RNA)
where:
Base-Base interactions energy: -46.137
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.191
local terms energy: -52.590148
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.289
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: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -86.587811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.587811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.587811 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -30.213
Base-Backbone interact. energy: -0.283
local terms energy: -56.092453
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -303.081789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.081789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.081789 (E_RNA)
where:
Base-Base interactions energy: -204.792
where: short stacking energy: -93.570
Base-Backbone interact. energy: -0.115
local terms energy: -98.174200
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -26.096
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -294.683771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.683771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.683771 (E_RNA)
where:
Base-Base interactions energy: -189.751
where: short stacking energy: -94.554
Base-Backbone interact. energy: 0.953
local terms energy: -105.886149
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -243.035915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.035915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.035915 (E_RNA)
where:
Base-Base interactions energy: -160.973
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.208
local terms energy: -81.854434
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -260.359869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.359869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.359869 (E_RNA)
where:
Base-Base interactions energy: -181.460
where: short stacking energy: -76.503
Base-Backbone interact. energy: 0.377
local terms energy: -79.277654
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -221.532669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.532669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.532669 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.454
local terms energy: -79.820015
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -194.318364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.318364 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.492
local terms energy: -83.577162
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -208.258172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.258172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.258172 (E_RNA)
where:
Base-Base interactions energy: -145.279
where: short stacking energy: -60.913
Base-Backbone interact. energy: 1.715
local terms energy: -64.694437
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -9.120
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -161.779677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.779677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.779677 (E_RNA)
where:
Base-Base interactions energy: -95.112
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.090
local terms energy: -66.577828
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -90.896479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.896479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.896479 (E_RNA)
where:
Base-Base interactions energy: -26.659
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.192
local terms energy: -64.045096
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -100.183735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.183735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.183735 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.881
local terms energy: -60.785196
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -295.607358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.607358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.607358 (E_RNA)
where:
Base-Base interactions energy: -193.928
where: short stacking energy: -90.487
Base-Backbone interact. energy: -0.006
local terms energy: -101.672998
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -30.587
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: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -298.498333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.498333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.498333 (E_RNA)
where:
Base-Base interactions energy: -196.038
where: short stacking energy: -89.076
Base-Backbone interact. energy: -1.190
local terms energy: -101.270355
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -28.657
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -263.586982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.586982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.586982 (E_RNA)
where:
Base-Base interactions energy: -189.207
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.226
local terms energy: -74.154028
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -226.360341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.360341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.360341 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.536
local terms energy: -80.576555
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -255.582573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.582573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.582573 (E_RNA)
where:
Base-Base interactions energy: -164.666
where: short stacking energy: -73.776
Base-Backbone interact. energy: -0.528
local terms energy: -90.389421
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -197.155843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.155843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.155843 (E_RNA)
where:
Base-Base interactions energy: -119.179
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.241
local terms energy: -77.735486
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -197.042320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.042320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.042320 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.742
local terms energy: -64.952686
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -6.036
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -169.249992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.249992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.249992 (E_RNA)
where:
Base-Base interactions energy: -103.858
where: short stacking energy: -41.258
Base-Backbone interact. energy: -1.641
local terms energy: -63.751004
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -6.382
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: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -103.496114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.496114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.496114 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -18.696
Base-Backbone interact. energy: -0.190
local terms energy: -63.955208
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -88.300214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.300214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.300214 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.254
local terms energy: -53.710037
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -302.206858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.206858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.206858 (E_RNA)
where:
Base-Base interactions energy: -197.032
where: short stacking energy: -95.032
Base-Backbone interact. energy: -1.254
local terms energy: -103.921168
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -15.282
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: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -296.017384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.017384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.017384 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -96.033
Base-Backbone interact. energy: -0.385
local terms energy: -102.471471
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -30.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -263.595045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.595045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.595045 (E_RNA)
where:
Base-Base interactions energy: -173.396
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.008
local terms energy: -90.190715
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -254.721405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.721405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.721405 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.257
local terms energy: -84.331035
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -16.409
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: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -229.197024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.197024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.197024 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -71.220
Base-Backbone interact. energy: -0.356
local terms energy: -74.866886
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.047
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: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -214.468918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.468918 (E_RNA)
where:
Base-Base interactions energy: -138.660
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.341
local terms energy: -75.467898
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -11.511
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: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -202.542750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.542750 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.798
local terms energy: -81.672630
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -177.762749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.762749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.762749 (E_RNA)
where:
Base-Base interactions energy: -111.600
where: short stacking energy: -54.947
Base-Backbone interact. energy: -1.207
local terms energy: -64.955473
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -7.934
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -101.501048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501048 (E_RNA)
where:
Base-Base interactions energy: -48.453
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.666
local terms energy: -52.381983
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: 0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -85.945241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945241 (E_RNA)
where:
Base-Base interactions energy: -24.617
where: short stacking energy: -23.142
Base-Backbone interact. energy: 0.060
local terms energy: -61.389045
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -302.212004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.212004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.212004 (E_RNA)
where:
Base-Base interactions energy: -205.444
where: short stacking energy: -88.839
Base-Backbone interact. energy: -0.062
local terms energy: -96.706707
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -297.931711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.931711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.931711 (E_RNA)
where:
Base-Base interactions energy: -197.476
where: short stacking energy: -95.890
Base-Backbone interact. energy: -0.602
local terms energy: -99.853652
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -30.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -254.014475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.014475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.014475 (E_RNA)
where:
Base-Base interactions energy: -177.506
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.096
local terms energy: -76.411990
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -15.684
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: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -261.887477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.887477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.887477 (E_RNA)
where:
Base-Base interactions energy: -165.429
where: short stacking energy: -87.277
Base-Backbone interact. energy: -0.007
local terms energy: -96.451596
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -225.402479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.402479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.402479 (E_RNA)
where:
Base-Base interactions energy: -146.614
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.129
local terms energy: -78.659595
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -224.810892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.810892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.810892 (E_RNA)
where:
Base-Base interactions energy: -148.563
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.157
local terms energy: -76.091279
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -212.893088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.893088 (E_RNA)
where:
Base-Base interactions energy: -141.669
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.060
local terms energy: -71.163138
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -193.550615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.550615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.550615 (E_RNA)
where:
Base-Base interactions energy: -126.766
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.128
local terms energy: -66.656371
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -92.674659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.674659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.674659 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -25.822
Base-Backbone interact. energy: -1.127
local terms energy: -65.725557
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -91.002211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002211 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.825
local terms energy: -56.822760
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: 0.199
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: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -313.686532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.686532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.686532 (E_RNA)
where:
Base-Base interactions energy: -214.108
where: short stacking energy: -94.832
Base-Backbone interact. energy: -1.326
local terms energy: -98.252549
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -28.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -256.053945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.053945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.053945 (E_RNA)
where:
Base-Base interactions energy: -165.226
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.213
local terms energy: -90.614597
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -16.029
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -293.611040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.611040 (E_RNA)
where:
Base-Base interactions energy: -187.327
where: short stacking energy: -79.806
Base-Backbone interact. energy: -1.386
local terms energy: -104.898524
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -31.781
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: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -267.427977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.427977 (E_RNA)
where:
Base-Base interactions energy: -181.429
where: short stacking energy: -77.696
Base-Backbone interact. energy: -0.001
local terms energy: -85.997959
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -218.163297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.163297 (E_RNA)
where:
Base-Base interactions energy: -137.832
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.926
local terms energy: -79.405062
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -221.308307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.308307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.308307 (E_RNA)
where:
Base-Base interactions energy: -141.807
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.059
local terms energy: -79.442735
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -16.016
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: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -218.511215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.511215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.511215 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -58.470
Base-Backbone interact. energy: -1.109
local terms energy: -71.399863
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -174.615672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.615672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.615672 (E_RNA)
where:
Base-Base interactions energy: -116.353
where: short stacking energy: -45.277
Base-Backbone interact. energy: -0.177
local terms energy: -58.085972
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -90.781809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.781809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.781809 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.347
local terms energy: -55.517008
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -109.615132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.615132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.615132 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -34.490
Base-Backbone interact. energy: -0.527
local terms energy: -65.985849
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -8.086
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: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -303.766478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.766478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.766478 (E_RNA)
where:
Base-Base interactions energy: -199.321
where: short stacking energy: -93.457
Base-Backbone interact. energy: 0.073
local terms energy: -104.518704
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -15.659
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: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -258.167451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.167451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.167451 (E_RNA)
where:
Base-Base interactions energy: -164.212
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.177
local terms energy: -93.778519
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -286.781345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.781345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.781345 (E_RNA)
where:
Base-Base interactions energy: -183.460
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.254
local terms energy: -103.067851
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -29.303
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: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -272.858247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.858247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.858247 (E_RNA)
where:
Base-Base interactions energy: -185.502
where: short stacking energy: -91.272
Base-Backbone interact. energy: -0.001
local terms energy: -87.355493
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -27.370
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -210.588104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.588104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.588104 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.283
local terms energy: -75.161676
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -10.984
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: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -221.269476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269476 (E_RNA)
where:
Base-Base interactions energy: -149.784
where: short stacking energy: -68.186
Base-Backbone interact. energy: 0.944
local terms energy: -72.429405
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.583
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: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -202.990941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.990941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.990941 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.033
local terms energy: -71.985685
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -13.317
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -159.353762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.353762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.353762 (E_RNA)
where:
Base-Base interactions energy: -88.315
where: short stacking energy: -38.609
Base-Backbone interact. energy: -0.266
local terms energy: -70.771944
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.846
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: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -116.259474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.259474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.259474 (E_RNA)
where:
Base-Base interactions energy: -63.429
where: short stacking energy: -34.010
Base-Backbone interact. energy: 0.596
local terms energy: -53.425995
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -112.432912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.432912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.432912 (E_RNA)
where:
Base-Base interactions energy: -57.258
where: short stacking energy: -32.986
Base-Backbone interact. energy: 1.078
local terms energy: -56.252935
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -298.614383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.614383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.614383 (E_RNA)
where:
Base-Base interactions energy: -196.942
where: short stacking energy: -92.765
Base-Backbone interact. energy: -0.640
local terms energy: -101.032299
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -15.553
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: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -295.691132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.691132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.691132 (E_RNA)
where:
Base-Base interactions energy: -200.881
where: short stacking energy: -94.161
Base-Backbone interact. energy: -0.024
local terms energy: -94.786376
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -27.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -251.044531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.044531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.044531 (E_RNA)
where:
Base-Base interactions energy: -165.289
where: short stacking energy: -71.426
Base-Backbone interact. energy: -0.049
local terms energy: -85.707437
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -14.900
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: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -294.651383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.651383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.651383 (E_RNA)
where:
Base-Base interactions energy: -197.550
where: short stacking energy: -88.625
Base-Backbone interact. energy: -0.015
local terms energy: -97.086072
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -13.130
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -216.501547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501547 (E_RNA)
where:
Base-Base interactions energy: -139.549
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.317
local terms energy: -76.636161
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -205.702901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.702901 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.194
local terms energy: -69.902946
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -197.491998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.491998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.491998 (E_RNA)
where:
Base-Base interactions energy: -136.567
where: short stacking energy: -46.044
Base-Backbone interact. energy: 0.838
local terms energy: -61.762925
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -170.947389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.947389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.947389 (E_RNA)
where:
Base-Base interactions energy: -105.901
where: short stacking energy: -47.396
Base-Backbone interact. energy: -0.605
local terms energy: -64.440861
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -7.103
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -120.243015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.243015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.243015 (E_RNA)
where:
Base-Base interactions energy: -49.904
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.199
local terms energy: -70.140765
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -10.921
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: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -106.633027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.633027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.633027 (E_RNA)
where:
Base-Base interactions energy: -55.388
where: short stacking energy: -20.624
Base-Backbone interact. energy: -1.247
local terms energy: -49.998269
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.933
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: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -307.630153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.630153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.630153 (E_RNA)
where:
Base-Base interactions energy: -202.854
where: short stacking energy: -90.611
Base-Backbone interact. energy: -0.521
local terms energy: -104.254904
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -291.923758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.923758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.923758 (E_RNA)
where:
Base-Base interactions energy: -195.254
where: short stacking energy: -89.607
Base-Backbone interact. energy: -0.037
local terms energy: -96.632656
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.240
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: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -288.815607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.815607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.815607 (E_RNA)
where:
Base-Base interactions energy: -200.206
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.142
local terms energy: -88.467347
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -24.468
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: 456
Temperature: 1.050000
Total energy: -262.079597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.079597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.079597 (E_RNA)
where:
Base-Base interactions energy: -179.443
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.086
local terms energy: -82.550224
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.232
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: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -234.629708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.629708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.629708 (E_RNA)
where:
Base-Base interactions energy: -155.289
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.131
local terms energy: -79.209718
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -209.873110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873110 (E_RNA)
where:
Base-Base interactions energy: -156.439
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.120
local terms energy: -53.313918
where:
bonds (distance) C4'-P energy: -4.306
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -14.231
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: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -175.194862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.194862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.194862 (E_RNA)
where:
Base-Base interactions energy: -106.054
where: short stacking energy: -52.696
Base-Backbone interact. energy: -0.174
local terms energy: -68.967395
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -10.227
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: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -217.738440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.738440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.738440 (E_RNA)
where:
Base-Base interactions energy: -138.634
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.143
local terms energy: -78.961894
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -100.308417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.308417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.308417 (E_RNA)
where:
Base-Base interactions energy: -46.314
where: short stacking energy: -17.953
Base-Backbone interact. energy: -0.366
local terms energy: -53.628608
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: 4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -88.606974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.606974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.606974 (E_RNA)
where:
Base-Base interactions energy: -34.306
where: short stacking energy: -27.703
Base-Backbone interact. energy: 0.106
local terms energy: -54.406650
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -298.219933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.219933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.219933 (E_RNA)
where:
Base-Base interactions energy: -200.128
where: short stacking energy: -89.046
Base-Backbone interact. energy: -0.087
local terms energy: -98.005395
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -25.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -307.351867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.351867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.351867 (E_RNA)
where:
Base-Base interactions energy: -204.469
where: short stacking energy: -95.634
Base-Backbone interact. energy: -0.085
local terms energy: -102.798352
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -284.562790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.562790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.562790 (E_RNA)
where:
Base-Base interactions energy: -194.056
where: short stacking energy: -77.780
Base-Backbone interact. energy: -0.088
local terms energy: -90.419637
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -22.466
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: 457
Temperature: 1.050000
Total energy: -240.964967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.964967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.964967 (E_RNA)
where:
Base-Base interactions energy: -162.389
where: short stacking energy: -69.855
Base-Backbone interact. energy: -1.063
local terms energy: -77.512492
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -20.625
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: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -220.503831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.503831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.503831 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -54.456
Base-Backbone interact. energy: 0.213
local terms energy: -82.381095
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -182.479415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.479415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.479415 (E_RNA)
where:
Base-Base interactions energy: -103.172
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.498
local terms energy: -78.809739
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -185.165308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.165308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165308 (E_RNA)
where:
Base-Base interactions energy: -121.180
where: short stacking energy: -42.846
Base-Backbone interact. energy: -0.297
local terms energy: -63.688371
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: 0.071
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: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -215.460011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.460011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460011 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.224
local terms energy: -79.568268
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -113.456291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.456291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.456291 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -25.765
Base-Backbone interact. energy: 1.126
local terms energy: -70.024849
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -101.722371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.722371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.722371 (E_RNA)
where:
Base-Base interactions energy: -44.796
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.355
local terms energy: -56.571253
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 0.002
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: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -291.179362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.179362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.179362 (E_RNA)
where:
Base-Base interactions energy: -187.485
where: short stacking energy: -93.350
Base-Backbone interact. energy: -0.000
local terms energy: -103.694508
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -26.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -291.005398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.005398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.005398 (E_RNA)
where:
Base-Base interactions energy: -203.287
where: short stacking energy: -79.579
Base-Backbone interact. energy: -1.013
local terms energy: -86.705247
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -288.951305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.951305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.951305 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.004
local terms energy: -91.464842
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -231.864897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.864897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.864897 (E_RNA)
where:
Base-Base interactions energy: -152.763
where: short stacking energy: -68.150
Base-Backbone interact. energy: -1.115
local terms energy: -77.986988
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -212.284980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.284980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284980 (E_RNA)
where:
Base-Base interactions energy: -127.080
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.182
local terms energy: -85.022970
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -13.268
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: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -182.714733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714733 (E_RNA)
where:
Base-Base interactions energy: -106.557
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.101
local terms energy: -76.057553
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -229.095641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.095641 (E_RNA)
where:
Base-Base interactions energy: -158.386
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.159
local terms energy: -70.551184
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -160.546658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.546658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.546658 (E_RNA)
where:
Base-Base interactions energy: -95.887
where: short stacking energy: -39.850
Base-Backbone interact. energy: -0.290
local terms energy: -64.369700
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -8.417
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: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -111.742049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.742049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.742049 (E_RNA)
where:
Base-Base interactions energy: -49.781
where: short stacking energy: -40.062
Base-Backbone interact. energy: -0.071
local terms energy: -61.890197
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -86.531265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531265 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.367
local terms energy: -50.366591
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -299.386917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.386917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.386917 (E_RNA)
where:
Base-Base interactions energy: -193.606
where: short stacking energy: -88.539
Base-Backbone interact. energy: -0.876
local terms energy: -104.904680
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -29.384
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: 459
Temperature: 0.950000
Total energy: -284.281684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.281684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.281684 (E_RNA)
where:
Base-Base interactions energy: -190.330
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.037
local terms energy: -93.914634
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -298.656351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.656351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.656351 (E_RNA)
where:
Base-Base interactions energy: -205.765
where: short stacking energy: -91.004
Base-Backbone interact. energy: -0.219
local terms energy: -92.672500
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -24.272
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -222.437653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437653 (E_RNA)
where:
Base-Base interactions energy: -142.623
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.046
local terms energy: -79.768669
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -17.575
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: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -254.552096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.552096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.552096 (E_RNA)
where:
Base-Base interactions energy: -167.961
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.146
local terms energy: -86.445632
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -218.857721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.857721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.857721 (E_RNA)
where:
Base-Base interactions energy: -144.666
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.145
local terms energy: -74.046711
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -162.446819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.446819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.446819 (E_RNA)
where:
Base-Base interactions energy: -84.257
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.188
local terms energy: -78.001843
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -9.863
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: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -173.881376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.881376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.881376 (E_RNA)
where:
Base-Base interactions energy: -99.811
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.037
local terms energy: -74.033498
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -111.333701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.333701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.333701 (E_RNA)
where:
Base-Base interactions energy: -54.001
where: short stacking energy: -14.246
Base-Backbone interact. energy: -0.277
local terms energy: -57.056147
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -94.933358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.933358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.933358 (E_RNA)
where:
Base-Base interactions energy: -46.385
where: short stacking energy: -31.416
Base-Backbone interact. energy: -0.500
local terms energy: -48.048857
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -298.290698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.290698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.290698 (E_RNA)
where:
Base-Base interactions energy: -201.486
where: short stacking energy: -95.436
Base-Backbone interact. energy: -0.001
local terms energy: -96.803967
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -11.440
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: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -295.371892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.371892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.371892 (E_RNA)
where:
Base-Base interactions energy: -189.319
where: short stacking energy: -96.408
Base-Backbone interact. energy: -0.373
local terms energy: -105.679327
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -29.498
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: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -245.002053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.002053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.002053 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -61.540
Base-Backbone interact. energy: 0.662
local terms energy: -89.305764
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -284.081017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.081017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.081017 (E_RNA)
where:
Base-Base interactions energy: -194.381
where: short stacking energy: -78.779
Base-Backbone interact. energy: -0.183
local terms energy: -89.516793
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -11.935
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -242.470316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.470316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.470316 (E_RNA)
where:
Base-Base interactions energy: -153.921
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.086
local terms energy: -88.463208
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -221.635412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635412 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -52.304
Base-Backbone interact. energy: 0.617
local terms energy: -80.241287
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -206.856566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.856566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856566 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -57.875
Base-Backbone interact. energy: -0.088
local terms energy: -67.990028
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -163.551778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.551778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.551778 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -50.167
Base-Backbone interact. energy: -1.077
local terms energy: -63.488039
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -91.991390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.991390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.991390 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -32.807
Base-Backbone interact. energy: -0.277
local terms energy: -57.014878
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -3.391
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: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -113.681831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.681831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.681831 (E_RNA)
where:
Base-Base interactions energy: -56.814
where: short stacking energy: -25.669
Base-Backbone interact. energy: -1.293
local terms energy: -55.575374
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -296.892362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.892362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.892362 (E_RNA)
where:
Base-Base interactions energy: -196.297
where: short stacking energy: -89.457
Base-Backbone interact. energy: -0.349
local terms energy: -100.246660
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -26.990
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: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -285.187764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.187764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.187764 (E_RNA)
where:
Base-Base interactions energy: -186.121
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.251
local terms energy: -98.815972
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -27.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -220.405390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405390 (E_RNA)
where:
Base-Base interactions energy: -136.502
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.833
local terms energy: -83.069692
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -285.091280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.091280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.091280 (E_RNA)
where:
Base-Base interactions energy: -186.151
where: short stacking energy: -89.046
Base-Backbone interact. energy: -0.072
local terms energy: -98.868157
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -27.256
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: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -241.105161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.105161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.105161 (E_RNA)
where:
Base-Base interactions energy: -154.396
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.056
local terms energy: -86.653140
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -228.556393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556393 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.571
local terms energy: -82.475651
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -204.856715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.856715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.856715 (E_RNA)
where:
Base-Base interactions energy: -135.481
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.222
local terms energy: -69.154133
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -9.075
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: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -182.415672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.415672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.415672 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.243
local terms energy: -73.532546
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -10.791
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: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -97.763451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.763451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.763451 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -30.538
Base-Backbone interact. energy: 0.415
local terms energy: -66.352470
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.534
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: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -91.835854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835854 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -23.764
Base-Backbone interact. energy: 0.080
local terms energy: -64.785904
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -298.805014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.805014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.805014 (E_RNA)
where:
Base-Base interactions energy: -193.141
where: short stacking energy: -89.002
Base-Backbone interact. energy: -0.128
local terms energy: -105.535128
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -16.351
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: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -303.568029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.568029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.568029 (E_RNA)
where:
Base-Base interactions energy: -209.855
where: short stacking energy: -79.665
Base-Backbone interact. energy: -0.002
local terms energy: -93.711251
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -28.484
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: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -292.224747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.224747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.224747 (E_RNA)
where:
Base-Base interactions energy: -190.117
where: short stacking energy: -92.617
Base-Backbone interact. energy: -0.110
local terms energy: -101.997994
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -30.076
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -229.480906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.480906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.480906 (E_RNA)
where:
Base-Base interactions energy: -145.392
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.178
local terms energy: -83.910707
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -16.324
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: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -232.899266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.899266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.899266 (E_RNA)
where:
Base-Base interactions energy: -143.667
where: short stacking energy: -67.088
Base-Backbone interact. energy: -0.053
local terms energy: -89.179169
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -17.580
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: 462
Temperature: 1.150000
Total energy: -225.848165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.848165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.848165 (E_RNA)
where:
Base-Base interactions energy: -144.660
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.026
local terms energy: -81.162197
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -170.216054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.216054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.216054 (E_RNA)
where:
Base-Base interactions energy: -101.366
where: short stacking energy: -55.334
Base-Backbone interact. energy: 1.090
local terms energy: -69.940218
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -11.261
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: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -177.485932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.485932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.485932 (E_RNA)
where:
Base-Base interactions energy: -125.076
where: short stacking energy: -57.879
Base-Backbone interact. energy: -0.150
local terms energy: -52.259569
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -6.885
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.689
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: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -99.250078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.250078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.250078 (E_RNA)
where:
Base-Base interactions energy: -44.829
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.315
local terms energy: -54.106760
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -1.663
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -96.349484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349484 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.151
local terms energy: -61.131651
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -4.418
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: 463
Temperature: 0.900000
Total energy: -304.995335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.995335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.995335 (E_RNA)
where:
Base-Base interactions energy: -208.188
where: short stacking energy: -93.252
Base-Backbone interact. energy: -0.473
local terms energy: -96.334512
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -26.959
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: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -298.920682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.920682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.920682 (E_RNA)
where:
Base-Base interactions energy: -193.171
where: short stacking energy: -94.234
Base-Backbone interact. energy: -1.400
local terms energy: -104.350216
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -30.687
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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -286.463943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.463943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.463943 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -83.878
Base-Backbone interact. energy: -0.579
local terms energy: -106.515468
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -27.210
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: 463
Temperature: 1.050000
Total energy: -273.099508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.099508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.099508 (E_RNA)
where:
Base-Base interactions energy: -176.697
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.347
local terms energy: -96.055750
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -227.952640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.952640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.952640 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.233
local terms energy: -81.790478
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -19.163
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: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -218.050841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.050841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.050841 (E_RNA)
where:
Base-Base interactions energy: -127.544
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.056
local terms energy: -90.450796
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -192.036503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.036503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.036503 (E_RNA)
where:
Base-Base interactions energy: -128.609
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.812
local terms energy: -62.616228
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -96.977083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.977083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.977083 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -33.580
Base-Backbone interact. energy: 1.161
local terms energy: -58.585843
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.141
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: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -188.492319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.492319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492319 (E_RNA)
where:
Base-Base interactions energy: -118.691
where: short stacking energy: -54.002
Base-Backbone interact. energy: -0.079
local terms energy: -69.721995
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -93.716604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716604 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -28.505
Base-Backbone interact. energy: -0.415
local terms energy: -64.796371
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -308.533743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.533743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.533743 (E_RNA)
where:
Base-Base interactions energy: -204.422
where: short stacking energy: -98.803
Base-Backbone interact. energy: -1.417
local terms energy: -102.694411
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -30.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -267.265081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.265081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.265081 (E_RNA)
where:
Base-Base interactions energy: -174.169
where: short stacking energy: -78.348
Base-Backbone interact. energy: 0.657
local terms energy: -93.753281
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -23.173
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: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -273.450956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.450956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.450956 (E_RNA)
where:
Base-Base interactions energy: -177.514
where: short stacking energy: -78.953
Base-Backbone interact. energy: -0.020
local terms energy: -95.916647
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -265.297859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.297859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.297859 (E_RNA)
where:
Base-Base interactions energy: -168.001
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.001
local terms energy: -97.296270
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -218.144131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.144131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.144131 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -65.043
Base-Backbone interact. energy: -1.305
local terms energy: -83.789112
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -13.988
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -225.080315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.080315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.080315 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -66.837
Base-Backbone interact. energy: -1.225
local terms energy: -83.157334
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -22.621
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: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -206.264353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264353 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -59.069
Base-Backbone interact. energy: -1.192
local terms energy: -77.254607
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -104.429666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.429666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.429666 (E_RNA)
where:
Base-Base interactions energy: -45.126
where: short stacking energy: -32.681
Base-Backbone interact. energy: -0.391
local terms energy: -58.912599
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -98.564224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.564224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.564224 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.127
local terms energy: -64.353527
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -158.669929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.669929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.669929 (E_RNA)
where:
Base-Base interactions energy: -93.175
where: short stacking energy: -40.848
Base-Backbone interact. energy: 2.376
local terms energy: -67.871272
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -300.249327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.249327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.249327 (E_RNA)
where:
Base-Base interactions energy: -202.781
where: short stacking energy: -97.608
Base-Backbone interact. energy: -0.197
local terms energy: -97.270920
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -28.214
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: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -285.466110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.466110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.466110 (E_RNA)
where:
Base-Base interactions energy: -187.550
where: short stacking energy: -83.473
Base-Backbone interact. energy: -1.169
local terms energy: -96.747449
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -28.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -294.581971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.581971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.581971 (E_RNA)
where:
Base-Base interactions energy: -187.582
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.036
local terms energy: -106.963692
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -16.324
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: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -271.021290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.021290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.021290 (E_RNA)
where:
Base-Base interactions energy: -184.992
where: short stacking energy: -86.911
Base-Backbone interact. energy: -0.007
local terms energy: -86.022192
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -240.731972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.731972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.731972 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.042
local terms energy: -81.019424
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -181.015709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015709 (E_RNA)
where:
Base-Base interactions energy: -103.318
where: short stacking energy: -47.930
Base-Backbone interact. energy: -0.191
local terms energy: -77.507011
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -192.902062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.902062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.902062 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -54.098
Base-Backbone interact. energy: -1.683
local terms energy: -59.814141
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -109.844019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.844019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.844019 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.211
local terms energy: -61.005111
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -105.611408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.611408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.611408 (E_RNA)
where:
Base-Base interactions energy: -39.314
where: short stacking energy: -33.574
Base-Backbone interact. energy: -0.444
local terms energy: -65.853621
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -156.946131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.946131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.946131 (E_RNA)
where:
Base-Base interactions energy: -106.446
where: short stacking energy: -43.004
Base-Backbone interact. energy: -0.326
local terms energy: -50.173402
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -3.774
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: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -290.530298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.530298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.530298 (E_RNA)
where:
Base-Base interactions energy: -196.137
where: short stacking energy: -90.901
Base-Backbone interact. energy: -0.034
local terms energy: -94.359226
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -289.044762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.044762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.044762 (E_RNA)
where:
Base-Base interactions energy: -186.931
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.104
local terms energy: -102.009920
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -13.861
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: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -281.659821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.659821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.659821 (E_RNA)
where:
Base-Base interactions energy: -192.813
where: short stacking energy: -89.246
Base-Backbone interact. energy: -0.516
local terms energy: -88.331120
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -30.471
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -257.488157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.488157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.488157 (E_RNA)
where:
Base-Base interactions energy: -177.942
where: short stacking energy: -79.746
Base-Backbone interact. energy: -0.009
local terms energy: -79.537301
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -22.302
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: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -228.955279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955279 (E_RNA)
where:
Base-Base interactions energy: -151.569
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.394
local terms energy: -76.992673
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -200.907989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.907989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.907989 (E_RNA)
where:
Base-Base interactions energy: -129.893
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.012
local terms energy: -71.003294
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -215.103269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.103269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.103269 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.049
local terms energy: -67.950282
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -108.445128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.445128 (E_RNA)
where:
Base-Base interactions energy: -48.689
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.661
local terms energy: -59.095555
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 0.379
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: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -158.673073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.673073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.673073 (E_RNA)
where:
Base-Base interactions energy: -103.167
where: short stacking energy: -44.165
Base-Backbone interact. energy: 0.067
local terms energy: -55.573075
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -88.392608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.392608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.392608 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -33.182
Base-Backbone interact. energy: -0.025
local terms energy: -54.216017
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -301.298036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.298036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.298036 (E_RNA)
where:
Base-Base interactions energy: -203.959
where: short stacking energy: -87.464
Base-Backbone interact. energy: -0.108
local terms energy: -97.230293
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -25.133
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -291.179868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.179868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.179868 (E_RNA)
where:
Base-Base interactions energy: -187.608
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.733
local terms energy: -102.838034
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -292.798713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.798713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.798713 (E_RNA)
where:
Base-Base interactions energy: -192.617
where: short stacking energy: -88.646
Base-Backbone interact. energy: -0.303
local terms energy: -99.877896
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -251.286997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.286997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.286997 (E_RNA)
where:
Base-Base interactions energy: -170.338
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.361
local terms energy: -80.587489
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -229.150542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.150542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.150542 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -76.752
Base-Backbone interact. energy: -0.736
local terms energy: -81.160818
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -11.035
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: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -216.935882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935882 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.114
local terms energy: -75.039690
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -222.571318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.571318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571318 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.338
local terms energy: -78.391580
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -152.551928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.551928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.551928 (E_RNA)
where:
Base-Base interactions energy: -90.866
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.115
local terms energy: -61.570830
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -126.529288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.529288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.529288 (E_RNA)
where:
Base-Base interactions energy: -62.075
where: short stacking energy: -33.491
Base-Backbone interact. energy: -0.104
local terms energy: -64.350550
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -7.220
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: 467
Temperature: 1.350000
Total energy: -93.346033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.346033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.346033 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -32.686
Base-Backbone interact. energy: 0.887
local terms energy: -55.331137
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -304.701791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.701791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.701791 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.119
local terms energy: -104.495831
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -27.365
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -305.712666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.712666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.712666 (E_RNA)
where:
Base-Base interactions energy: -196.986
where: short stacking energy: -94.559
Base-Backbone interact. energy: -0.000
local terms energy: -108.726664
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -295.766901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.766901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.766901 (E_RNA)
where:
Base-Base interactions energy: -199.192
where: short stacking energy: -94.809
Base-Backbone interact. energy: 0.162
local terms energy: -96.736953
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -29.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -278.553131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.553131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.553131 (E_RNA)
where:
Base-Base interactions energy: -177.140
where: short stacking energy: -83.598
Base-Backbone interact. energy: -0.108
local terms energy: -101.305326
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -28.880
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: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -247.687414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.687414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.687414 (E_RNA)
where:
Base-Base interactions energy: -156.406
where: short stacking energy: -75.488
Base-Backbone interact. energy: -0.143
local terms energy: -91.137980
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -215.693528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.693528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.693528 (E_RNA)
where:
Base-Base interactions energy: -132.264
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.268
local terms energy: -83.161515
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -14.068
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: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -214.354268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.354268 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.190
local terms energy: -76.357096
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -168.184826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.184826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.184826 (E_RNA)
where:
Base-Base interactions energy: -103.582
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.126
local terms energy: -64.476677
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -102.180966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.180966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.180966 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -28.576
Base-Backbone interact. energy: -0.302
local terms energy: -63.962787
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -118.977632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.977632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.977632 (E_RNA)
where:
Base-Base interactions energy: -61.367
where: short stacking energy: -29.253
Base-Backbone interact. energy: 0.375
local terms energy: -57.985693
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -293.481738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.481738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.481738 (E_RNA)
where:
Base-Base interactions energy: -188.045
where: short stacking energy: -94.980
Base-Backbone interact. energy: -0.157
local terms energy: -105.280044
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -26.886
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: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -295.391287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.391287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.391287 (E_RNA)
where:
Base-Base interactions energy: -197.400
where: short stacking energy: -96.058
Base-Backbone interact. energy: -0.004
local terms energy: -97.987360
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -12.068
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: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -291.765211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.765211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.765211 (E_RNA)
where:
Base-Base interactions energy: -199.295
where: short stacking energy: -90.302
Base-Backbone interact. energy: -0.106
local terms energy: -92.363926
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -8.919
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -249.627173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.627173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.627173 (E_RNA)
where:
Base-Base interactions energy: -165.471
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.294
local terms energy: -83.861967
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -20.866
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: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -259.210278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.210278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.210278 (E_RNA)
where:
Base-Base interactions energy: -177.311
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.008
local terms energy: -81.890853
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -16.635
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: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -220.786784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.786784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.786784 (E_RNA)
where:
Base-Base interactions energy: -141.381
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.237
local terms energy: -79.167922
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -215.694031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.694031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.694031 (E_RNA)
where:
Base-Base interactions energy: -146.988
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.083
local terms energy: -68.622215
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -96.165426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.165426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.165426 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -27.844
Base-Backbone interact. energy: -0.366
local terms energy: -60.791828
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -168.066777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.066777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.066777 (E_RNA)
where:
Base-Base interactions energy: -99.006
where: short stacking energy: -46.269
Base-Backbone interact. energy: -0.380
local terms energy: -68.680521
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -90.599200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.599200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.599200 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -21.619
Base-Backbone interact. energy: -0.937
local terms energy: -58.807852
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: 4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -304.248767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.248767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.248767 (E_RNA)
where:
Base-Base interactions energy: -201.236
where: short stacking energy: -95.428
Base-Backbone interact. energy: -0.003
local terms energy: -103.009353
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -28.884
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: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -292.523902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.523902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.523902 (E_RNA)
where:
Base-Base interactions energy: -195.606
where: short stacking energy: -89.639
Base-Backbone interact. energy: -0.206
local terms energy: -96.712197
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -279.254294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.254294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.254294 (E_RNA)
where:
Base-Base interactions energy: -190.319
where: short stacking energy: -85.463
Base-Backbone interact. energy: -0.001
local terms energy: -88.934907
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -26.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -282.026426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.026426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.026426 (E_RNA)
where:
Base-Base interactions energy: -189.979
where: short stacking energy: -91.093
Base-Backbone interact. energy: -0.010
local terms energy: -92.036741
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -226.711623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.711623 (E_RNA)
where:
Base-Base interactions energy: -154.960
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.205
local terms energy: -71.546480
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -214.822828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822828 (E_RNA)
where:
Base-Base interactions energy: -132.059
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.333
local terms energy: -82.430938
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -15.934
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: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -220.436208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.436208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.436208 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -75.872
Base-Backbone interact. energy: -0.862
local terms energy: -78.624646
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -100.074207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.074207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.074207 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -33.287
Base-Backbone interact. energy: -0.402
local terms energy: -64.994449
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -165.192211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.192211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.192211 (E_RNA)
where:
Base-Base interactions energy: -89.257
where: short stacking energy: -38.460
Base-Backbone interact. energy: -1.900
local terms energy: -74.035915
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -87.476270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.476270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.476270 (E_RNA)
where:
Base-Base interactions energy: -30.483
where: short stacking energy: -27.022
Base-Backbone interact. energy: -0.045
local terms energy: -56.947784
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -0.539
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: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -283.197981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.197981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.197981 (E_RNA)
where:
Base-Base interactions energy: -186.109
where: short stacking energy: -85.357
Base-Backbone interact. energy: -2.291
local terms energy: -94.798177
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -25.928
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -299.938329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.938329 (E_RNA)
where:
Base-Base interactions energy: -202.132
where: short stacking energy: -79.658
Base-Backbone interact. energy: -0.027
local terms energy: -97.778943
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.237
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -266.203796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.203796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.203796 (E_RNA)
where:
Base-Base interactions energy: -176.535
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.001
local terms energy: -89.667177
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -23.493
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: 471
Temperature: 1.050000
Total energy: -287.437718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.437718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.437718 (E_RNA)
where:
Base-Base interactions energy: -184.325
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.053
local terms energy: -103.059305
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -30.913
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: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -217.987334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.987334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.987334 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -60.940
Base-Backbone interact. energy: -0.141
local terms energy: -74.586578
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -236.342263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.342263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.342263 (E_RNA)
where:
Base-Base interactions energy: -148.792
where: short stacking energy: -70.077
Base-Backbone interact. energy: -0.036
local terms energy: -87.514310
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -219.872946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.872946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.872946 (E_RNA)
where:
Base-Base interactions energy: -137.015
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.923
local terms energy: -81.934703
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -12.044
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -177.010559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.010559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.010559 (E_RNA)
where:
Base-Base interactions energy: -96.992
where: short stacking energy: -46.528
Base-Backbone interact. energy: -0.459
local terms energy: -79.559964
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -10.885
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: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -113.758269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.758269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.758269 (E_RNA)
where:
Base-Base interactions energy: -60.660
where: short stacking energy: -36.337
Base-Backbone interact. energy: -0.074
local terms energy: -53.024576
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -122.954767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.954767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.954767 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -26.222
Base-Backbone interact. energy: 0.881
local terms energy: -65.402704
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -294.846910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.846910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.846910 (E_RNA)
where:
Base-Base interactions energy: -206.314
where: short stacking energy: -87.933
Base-Backbone interact. energy: -0.165
local terms energy: -88.367667
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -25.956
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -284.397272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.397272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.397272 (E_RNA)
where:
Base-Base interactions energy: -195.536
where: short stacking energy: -84.988
Base-Backbone interact. energy: -0.083
local terms energy: -88.777872
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -293.728472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.728472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.728472 (E_RNA)
where:
Base-Base interactions energy: -192.773
where: short stacking energy: -88.910
Base-Backbone interact. energy: -0.590
local terms energy: -100.365600
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -29.800
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: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -253.366046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.366046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.366046 (E_RNA)
where:
Base-Base interactions energy: -162.956
where: short stacking energy: -82.786
Base-Backbone interact. energy: -0.012
local terms energy: -90.398197
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -243.243344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.243344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.243344 (E_RNA)
where:
Base-Base interactions energy: -159.363
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.268
local terms energy: -83.612473
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -203.836134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.836134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.836134 (E_RNA)
where:
Base-Base interactions energy: -127.157
where: short stacking energy: -55.231
Base-Backbone interact. energy: -0.518
local terms energy: -76.161484
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -181.756102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.756102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.756102 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -44.911
Base-Backbone interact. energy: -0.184
local terms energy: -78.886629
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -191.875960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.875960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.875960 (E_RNA)
where:
Base-Base interactions energy: -123.408
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.619
local terms energy: -67.849074
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -14.258
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: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -148.826135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.826135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.826135 (E_RNA)
where:
Base-Base interactions energy: -84.512
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.144
local terms energy: -64.170392
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -104.430063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.430063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.430063 (E_RNA)
where:
Base-Base interactions energy: -52.460
where: short stacking energy: -31.994
Base-Backbone interact. energy: 2.242
local terms energy: -54.211991
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -8.011
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: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -293.557763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.557763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.557763 (E_RNA)
where:
Base-Base interactions energy: -200.038
where: short stacking energy: -85.671
Base-Backbone interact. energy: -0.318
local terms energy: -93.202602
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -15.351
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: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -298.572190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.572190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.572190 (E_RNA)
where:
Base-Base interactions energy: -197.153
where: short stacking energy: -94.679
Base-Backbone interact. energy: -0.043
local terms energy: -101.376239
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -29.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -284.020195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.020195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.020195 (E_RNA)
where:
Base-Base interactions energy: -184.142
where: short stacking energy: -88.157
Base-Backbone interact. energy: 0.514
local terms energy: -100.391806
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -28.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -284.485030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.485030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.485030 (E_RNA)
where:
Base-Base interactions energy: -190.147
where: short stacking energy: -85.551
Base-Backbone interact. energy: -0.024
local terms energy: -94.313684
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -28.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -222.616350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.616350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.616350 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.132
local terms energy: -84.832115
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -184.341653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.341653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.341653 (E_RNA)
where:
Base-Base interactions energy: -108.120
where: short stacking energy: -62.081
Base-Backbone interact. energy: 0.140
local terms energy: -76.362176
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.070
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: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -195.719045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719045 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.257
local terms energy: -68.709582
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -181.492182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.492182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.492182 (E_RNA)
where:
Base-Base interactions energy: -120.587
where: short stacking energy: -41.294
Base-Backbone interact. energy: -1.295
local terms energy: -59.610023
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -170.814210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.814210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.814210 (E_RNA)
where:
Base-Base interactions energy: -100.782
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.047
local terms energy: -69.984884
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -9.733
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -99.527838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.527838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.527838 (E_RNA)
where:
Base-Base interactions energy: -42.495
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.247
local terms energy: -56.785337
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: 3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -294.090354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.090354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.090354 (E_RNA)
where:
Base-Base interactions energy: -190.916
where: short stacking energy: -84.531
Base-Backbone interact. energy: -0.106
local terms energy: -103.068170
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -300.699197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.699197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.699197 (E_RNA)
where:
Base-Base interactions energy: -202.845
where: short stacking energy: -86.500
Base-Backbone interact. energy: -0.319
local terms energy: -97.535609
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -22.058
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: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -290.642449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.642449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.642449 (E_RNA)
where:
Base-Base interactions energy: -194.730
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.008
local terms energy: -95.904381
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -23.307
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: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -284.767648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.767648 (E_RNA)
where:
Base-Base interactions energy: -185.935
where: short stacking energy: -82.261
Base-Backbone interact. energy: -0.242
local terms energy: -98.590327
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -26.131
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: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -224.284167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.284167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.284167 (E_RNA)
where:
Base-Base interactions energy: -136.759
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.101
local terms energy: -87.424056
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -11.223
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -180.556349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.556349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.556349 (E_RNA)
where:
Base-Base interactions energy: -110.022
where: short stacking energy: -57.768
Base-Backbone interact. energy: -0.137
local terms energy: -70.396842
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -185.878519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.878519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.878519 (E_RNA)
where:
Base-Base interactions energy: -110.588
where: short stacking energy: -59.106
Base-Backbone interact. energy: -0.861
local terms energy: -74.429470
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -15.303
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -178.083010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.083010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.083010 (E_RNA)
where:
Base-Base interactions energy: -123.327
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.456
local terms energy: -54.300753
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -184.311158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311158 (E_RNA)
where:
Base-Base interactions energy: -109.970
where: short stacking energy: -50.297
Base-Backbone interact. energy: -0.126
local terms energy: -74.214693
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -97.489155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.489155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.489155 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.139
local terms energy: -57.619484
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -291.520939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.520939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.520939 (E_RNA)
where:
Base-Base interactions energy: -198.460
where: short stacking energy: -96.596
Base-Backbone interact. energy: -0.042
local terms energy: -93.018811
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -11.040
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: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -297.353637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.353637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.353637 (E_RNA)
where:
Base-Base interactions energy: -205.686
where: short stacking energy: -91.203
Base-Backbone interact. energy: -0.164
local terms energy: -91.503814
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -271.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.189159 (E_RNA)
where:
Base-Base interactions energy: -178.154
where: short stacking energy: -87.826
Base-Backbone interact. energy: 1.065
local terms energy: -94.100049
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -24.919
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: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -250.845236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.845236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.845236 (E_RNA)
where:
Base-Base interactions energy: -161.614
where: short stacking energy: -72.694
Base-Backbone interact. energy: 0.370
local terms energy: -89.600609
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -24.537
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: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -237.719731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.719731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.719731 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.149
local terms energy: -80.425277
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -16.821
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: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -208.962095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.962095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.962095 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.279
local terms energy: -77.640439
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -192.100943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.100943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.100943 (E_RNA)
where:
Base-Base interactions energy: -106.472
where: short stacking energy: -55.585
Base-Backbone interact. energy: -0.167
local terms energy: -85.461891
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -178.035775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.035775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.035775 (E_RNA)
where:
Base-Base interactions energy: -105.018
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.357
local terms energy: -72.661080
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -158.143512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.143512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.143512 (E_RNA)
where:
Base-Base interactions energy: -93.018
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.159
local terms energy: -64.966198
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -86.795231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.795231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.795231 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -31.139
Base-Backbone interact. energy: 1.082
local terms energy: -50.748092
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -305.202028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.202028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.202028 (E_RNA)
where:
Base-Base interactions energy: -200.452
where: short stacking energy: -97.159
Base-Backbone interact. energy: -0.857
local terms energy: -103.892293
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -29.956
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: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -295.539137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.539137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.539137 (E_RNA)
where:
Base-Base interactions energy: -192.254
where: short stacking energy: -88.330
Base-Backbone interact. energy: -0.062
local terms energy: -103.223081
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -292.110497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.110497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.110497 (E_RNA)
where:
Base-Base interactions energy: -195.092
where: short stacking energy: -85.818
Base-Backbone interact. energy: -0.043
local terms energy: -96.975416
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -29.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -237.076454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.076454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.076454 (E_RNA)
where:
Base-Base interactions energy: -151.395
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.142
local terms energy: -85.539396
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -237.031242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.031242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.031242 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.041
local terms energy: -82.557639
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -22.902
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: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -227.588768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.588768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.588768 (E_RNA)
where:
Base-Base interactions energy: -146.787
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.123
local terms energy: -80.678119
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -190.644917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.644917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.644917 (E_RNA)
where:
Base-Base interactions energy: -113.420
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.179
local terms energy: -77.045993
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -165.825560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.825560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.825560 (E_RNA)
where:
Base-Base interactions energy: -115.508
where: short stacking energy: -55.724
Base-Backbone interact. energy: -0.268
local terms energy: -50.050052
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.585
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: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -207.367715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.367715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.367715 (E_RNA)
where:
Base-Base interactions energy: -136.706
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.119
local terms energy: -70.542684
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -96.192271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192271 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.194
local terms energy: -63.378671
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -302.420766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.420766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.420766 (E_RNA)
where:
Base-Base interactions energy: -202.594
where: short stacking energy: -91.130
Base-Backbone interact. energy: -0.130
local terms energy: -99.696869
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -29.925
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: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -288.435950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.435950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.435950 (E_RNA)
where:
Base-Base interactions energy: -195.228
where: short stacking energy: -95.836
Base-Backbone interact. energy: -0.051
local terms energy: -93.157743
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -28.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -273.850914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.850914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.850914 (E_RNA)
where:
Base-Base interactions energy: -190.706
where: short stacking energy: -89.357
Base-Backbone interact. energy: -0.200
local terms energy: -82.944365
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.310
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: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -249.820220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.820220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.820220 (E_RNA)
where:
Base-Base interactions energy: -173.310
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.234
local terms energy: -76.276328
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -18.717
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -238.630513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.630513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.630513 (E_RNA)
where:
Base-Base interactions energy: -145.449
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.019
local terms energy: -93.162082
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -222.491379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.491379 (E_RNA)
where:
Base-Base interactions energy: -145.673
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.411
local terms energy: -76.407726
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -192.247536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.247536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.247536 (E_RNA)
where:
Base-Base interactions energy: -121.295
where: short stacking energy: -52.731
Base-Backbone interact. energy: -0.762
local terms energy: -70.190298
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -211.878939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878939 (E_RNA)
where:
Base-Base interactions energy: -140.794
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.244
local terms energy: -70.841099
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -181.676385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.676385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.676385 (E_RNA)
where:
Base-Base interactions energy: -110.700
where: short stacking energy: -48.594
Base-Backbone interact. energy: 0.118
local terms energy: -71.094140
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -95.909430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.909430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.909430 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -37.713
Base-Backbone interact. energy: 1.159
local terms energy: -56.604679
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -293.150640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.150640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.150640 (E_RNA)
where:
Base-Base interactions energy: -191.875
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.244
local terms energy: -101.031307
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -13.650
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: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -301.530478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.530478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.530478 (E_RNA)
where:
Base-Base interactions energy: -198.693
where: short stacking energy: -94.273
Base-Backbone interact. energy: -0.009
local terms energy: -102.828275
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -29.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -280.942660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.942660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.942660 (E_RNA)
where:
Base-Base interactions energy: -191.581
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.176
local terms energy: -89.185854
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -12.478
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: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -247.979844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.979844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.979844 (E_RNA)
where:
Base-Base interactions energy: -162.698
where: short stacking energy: -75.765
Base-Backbone interact. energy: -0.001
local terms energy: -85.281024
where:
bonds (distance) C4'-P energy: -7.366
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -229.172788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172788 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.658
local terms energy: -75.659923
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -230.734225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.734225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.734225 (E_RNA)
where:
Base-Base interactions energy: -155.866
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.091
local terms energy: -74.776965
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -202.437140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.437140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.437140 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.226
local terms energy: -72.261992
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -8.391
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: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -177.937590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.937590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.937590 (E_RNA)
where:
Base-Base interactions energy: -114.253
where: short stacking energy: -42.983
Base-Backbone interact. energy: -0.760
local terms energy: -62.924433
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -101.020805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.020805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.020805 (E_RNA)
where:
Base-Base interactions energy: -39.609
where: short stacking energy: -35.301
Base-Backbone interact. energy: -0.238
local terms energy: -61.173020
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -175.165790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.165790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.165790 (E_RNA)
where:
Base-Base interactions energy: -113.655
where: short stacking energy: -55.064
Base-Backbone interact. energy: -0.146
local terms energy: -61.364532
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -296.979514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.979514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.979514 (E_RNA)
where:
Base-Base interactions energy: -199.176
where: short stacking energy: -91.783
Base-Backbone interact. energy: -0.003
local terms energy: -97.800309
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -299.947991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.947991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.947991 (E_RNA)
where:
Base-Base interactions energy: -198.826
where: short stacking energy: -93.022
Base-Backbone interact. energy: -0.350
local terms energy: -100.772135
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -30.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -284.154376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154376 (E_RNA)
where:
Base-Base interactions energy: -189.891
where: short stacking energy: -84.845
Base-Backbone interact. energy: 0.038
local terms energy: -94.300965
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -229.336710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.336710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.336710 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -68.758
Base-Backbone interact. energy: -0.251
local terms energy: -74.552648
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.684
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: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -266.419421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.419421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.419421 (E_RNA)
where:
Base-Base interactions energy: -173.498
where: short stacking energy: -76.741
Base-Backbone interact. energy: -0.115
local terms energy: -92.806917
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -235.218960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.218960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.218960 (E_RNA)
where:
Base-Base interactions energy: -162.701
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.095
local terms energy: -72.423455
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -4.373
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: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -190.712149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.712149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.712149 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.053
local terms energy: -66.308296
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -169.988527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.988527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.988527 (E_RNA)
where:
Base-Base interactions energy: -94.642
where: short stacking energy: -57.385
Base-Backbone interact. energy: 0.180
local terms energy: -75.527325
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -105.817363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.817363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.817363 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.378
local terms energy: -70.961848
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -153.876598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.876598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.876598 (E_RNA)
where:
Base-Base interactions energy: -104.812
where: short stacking energy: -49.870
Base-Backbone interact. energy: 1.827
local terms energy: -50.891899
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -3.543
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: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -299.553752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.553752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.553752 (E_RNA)
where:
Base-Base interactions energy: -194.378
where: short stacking energy: -87.714
Base-Backbone interact. energy: -1.127
local terms energy: -104.049527
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -29.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -299.359711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.359711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.359711 (E_RNA)
where:
Base-Base interactions energy: -194.510
where: short stacking energy: -90.213
Base-Backbone interact. energy: -0.255
local terms energy: -104.594865
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -30.114
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: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -269.332816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.332816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.332816 (E_RNA)
where:
Base-Base interactions energy: -178.439
where: short stacking energy: -86.892
Base-Backbone interact. energy: -0.033
local terms energy: -90.861231
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -236.733445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.733445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.733445 (E_RNA)
where:
Base-Base interactions energy: -151.485
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.154
local terms energy: -85.093783
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -258.872648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.872648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.872648 (E_RNA)
where:
Base-Base interactions energy: -162.821
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.263
local terms energy: -95.788588
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -18.445
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: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -217.958916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.958916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.958916 (E_RNA)
where:
Base-Base interactions energy: -134.387
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.076
local terms energy: -83.495711
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -12.126
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: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -192.760614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.760614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.760614 (E_RNA)
where:
Base-Base interactions energy: -131.611
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.188
local terms energy: -60.961531
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -183.516775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516775 (E_RNA)
where:
Base-Base interactions energy: -116.857
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.421
local terms energy: -66.238751
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -168.356146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.356146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.356146 (E_RNA)
where:
Base-Base interactions energy: -101.737
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.844
local terms energy: -65.774681
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.914
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: 480
Temperature: 1.350000
Total energy: -105.234512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234512 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -40.130
Base-Backbone interact. energy: -0.035
local terms energy: -62.286999
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -301.866625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.866625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.866625 (E_RNA)
where:
Base-Base interactions energy: -202.994
where: short stacking energy: -95.814
Base-Backbone interact. energy: -0.550
local terms energy: -98.322975
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -296.199668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.199668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.199668 (E_RNA)
where:
Base-Base interactions energy: -205.867
where: short stacking energy: -98.201
Base-Backbone interact. energy: -0.353
local terms energy: -89.979470
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -273.598551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.598551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.598551 (E_RNA)
where:
Base-Base interactions energy: -183.243
where: short stacking energy: -92.790
Base-Backbone interact. energy: 0.567
local terms energy: -90.922561
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -240.736755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.736755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.736755 (E_RNA)
where:
Base-Base interactions energy: -151.499
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.943
local terms energy: -88.294305
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -22.382
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: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -240.779869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.779869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.779869 (E_RNA)
where:
Base-Base interactions energy: -160.766
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.023
local terms energy: -79.991590
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -232.740956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.740956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.740956 (E_RNA)
where:
Base-Base interactions energy: -150.047
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.105
local terms energy: -82.588659
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -218.097132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097132 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.207
local terms energy: -77.580919
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -13.315
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -222.076188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.076188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.076188 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -68.735
Base-Backbone interact. energy: -0.158
local terms energy: -78.357558
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -158.924900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.924900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.924900 (E_RNA)
where:
Base-Base interactions energy: -94.530
where: short stacking energy: -48.613
Base-Backbone interact. energy: 0.802
local terms energy: -65.196680
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -13.777
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: 481
Temperature: 1.350000
Total energy: -82.667285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667285 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.177
local terms energy: -55.374858
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -300.728915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.728915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.728915 (E_RNA)
where:
Base-Base interactions energy: -197.630
where: short stacking energy: -96.725
Base-Backbone interact. energy: -0.067
local terms energy: -103.031726
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -13.372
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: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -289.285923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.285923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.285923 (E_RNA)
where:
Base-Base interactions energy: -198.713
where: short stacking energy: -88.874
Base-Backbone interact. energy: -0.621
local terms energy: -89.951970
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -278.666258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.666258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.666258 (E_RNA)
where:
Base-Base interactions energy: -187.416
where: short stacking energy: -82.116
Base-Backbone interact. energy: -0.544
local terms energy: -90.705992
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -28.358
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: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -244.839928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.839928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.839928 (E_RNA)
where:
Base-Base interactions energy: -155.556
where: short stacking energy: -78.253
Base-Backbone interact. energy: -0.168
local terms energy: -89.115606
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -13.934
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: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -219.250039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.250039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.250039 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.108
local terms energy: -75.316307
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -229.761063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.761063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.761063 (E_RNA)
where:
Base-Base interactions energy: -149.788
where: short stacking energy: -74.171
Base-Backbone interact. energy: 2.736
local terms energy: -82.708328
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -204.101144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.101144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101144 (E_RNA)
where:
Base-Base interactions energy: -126.546
where: short stacking energy: -52.656
Base-Backbone interact. energy: -1.654
local terms energy: -75.900556
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -199.330423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330423 (E_RNA)
where:
Base-Base interactions energy: -122.526
where: short stacking energy: -54.835
Base-Backbone interact. energy: 2.000
local terms energy: -78.804524
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -146.922442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.922442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.922442 (E_RNA)
where:
Base-Base interactions energy: -78.161
where: short stacking energy: -42.811
Base-Backbone interact. energy: -0.592
local terms energy: -68.169403
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -94.931542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.931542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.931542 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.236
local terms energy: -68.592768
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -306.234643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.234643 (E_RNA)
where:
Base-Base interactions energy: -199.552
where: short stacking energy: -94.708
Base-Backbone interact. energy: 0.518
local terms energy: -107.200443
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -281.197052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.197052 (E_RNA)
where:
Base-Base interactions energy: -186.614
where: short stacking energy: -82.174
Base-Backbone interact. energy: -0.027
local terms energy: -94.556468
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -287.866502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.866502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.866502 (E_RNA)
where:
Base-Base interactions energy: -192.555
where: short stacking energy: -87.453
Base-Backbone interact. energy: -0.026
local terms energy: -95.285363
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -25.649
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: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -244.110038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.110038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.110038 (E_RNA)
where:
Base-Base interactions energy: -153.527
where: short stacking energy: -75.667
Base-Backbone interact. energy: -0.744
local terms energy: -89.839283
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -236.866128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.866128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.866128 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.829
local terms energy: -84.742439
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -204.253534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.253534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.253534 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -49.707
Base-Backbone interact. energy: -0.504
local terms energy: -68.027434
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -215.337140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.337140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.337140 (E_RNA)
where:
Base-Base interactions energy: -136.336
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.091
local terms energy: -78.910269
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -163.685198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.685198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.685198 (E_RNA)
where:
Base-Base interactions energy: -84.819
where: short stacking energy: -47.474
Base-Backbone interact. energy: -0.048
local terms energy: -78.818865
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -5.898
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: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -182.344007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.344007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.344007 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.229
local terms energy: -66.998668
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -89.626175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.626175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.626175 (E_RNA)
where:
Base-Base interactions energy: -19.154
where: short stacking energy: -8.650
Base-Backbone interact. energy: 0.959
local terms energy: -71.431044
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -298.234481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.234481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.234481 (E_RNA)
where:
Base-Base interactions energy: -203.783
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.098
local terms energy: -94.353455
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.248
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: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -300.295757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.295757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.295757 (E_RNA)
where:
Base-Base interactions energy: -199.919
where: short stacking energy: -88.743
Base-Backbone interact. energy: 2.665
local terms energy: -103.041706
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -9.587
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: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -293.625318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.625318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.625318 (E_RNA)
where:
Base-Base interactions energy: -195.971
where: short stacking energy: -85.144
Base-Backbone interact. energy: -0.510
local terms energy: -97.144552
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -30.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -233.904160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.904160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.904160 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.163
local terms energy: -84.321026
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -254.039681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.039681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.039681 (E_RNA)
where:
Base-Base interactions energy: -169.118
where: short stacking energy: -71.151
Base-Backbone interact. energy: -0.865
local terms energy: -84.056666
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -206.337715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.337715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.337715 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -66.923
Base-Backbone interact. energy: 0.489
local terms energy: -75.796788
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -13.187
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: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -214.499508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.499508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.499508 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -65.817
Base-Backbone interact. energy: -0.051
local terms energy: -74.671723
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -158.485821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.485821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.485821 (E_RNA)
where:
Base-Base interactions energy: -94.558
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.057
local terms energy: -63.870652
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.103
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: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -146.641745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.641745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.641745 (E_RNA)
where:
Base-Base interactions energy: -90.713
where: short stacking energy: -44.384
Base-Backbone interact. energy: 1.158
local terms energy: -57.087586
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -100.022088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022088 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -32.341
Base-Backbone interact. energy: 0.071
local terms energy: -67.751855
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -303.682497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.682497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.682497 (E_RNA)
where:
Base-Base interactions energy: -211.573
where: short stacking energy: -79.158
Base-Backbone interact. energy: -0.255
local terms energy: -91.854282
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -23.374
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: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -299.990166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.990166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.990166 (E_RNA)
where:
Base-Base interactions energy: -210.205
where: short stacking energy: -87.610
Base-Backbone interact. energy: -0.702
local terms energy: -89.082886
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -284.068321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.068321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.068321 (E_RNA)
where:
Base-Base interactions energy: -192.825
where: short stacking energy: -84.094
Base-Backbone interact. energy: -0.021
local terms energy: -91.221749
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.161
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: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -268.794246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.794246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.794246 (E_RNA)
where:
Base-Base interactions energy: -182.752
where: short stacking energy: -77.129
Base-Backbone interact. energy: -0.215
local terms energy: -85.827334
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.285
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: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -256.602733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602733 (E_RNA)
where:
Base-Base interactions energy: -175.865
where: short stacking energy: -71.988
Base-Backbone interact. energy: -0.185
local terms energy: -80.552572
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -8.197
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: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -197.047334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.047334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.047334 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.739
local terms energy: -70.346509
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -193.055176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.055176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.055176 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.596
local terms energy: -61.533730
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -175.613484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.613484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.613484 (E_RNA)
where:
Base-Base interactions energy: -112.416
where: short stacking energy: -42.142
Base-Backbone interact. energy: -1.215
local terms energy: -61.982410
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -2.742
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: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -106.549482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.549482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.549482 (E_RNA)
where:
Base-Base interactions energy: -52.275
where: short stacking energy: -25.112
Base-Backbone interact. energy: -0.278
local terms energy: -53.996994
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: 0.640
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: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -99.550310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.550310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.550310 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -40.353
Base-Backbone interact. energy: 1.371
local terms energy: -59.176725
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -9.328
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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -301.220125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.220125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.220125 (E_RNA)
where:
Base-Base interactions energy: -203.867
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.001
local terms energy: -97.352331
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -293.581850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.581850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.581850 (E_RNA)
where:
Base-Base interactions energy: -194.426
where: short stacking energy: -86.729
Base-Backbone interact. energy: -0.356
local terms energy: -98.799306
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -28.744
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: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -279.606486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.606486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.606486 (E_RNA)
where:
Base-Base interactions energy: -182.272
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.167
local terms energy: -97.167441
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -273.982613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.982613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.982613 (E_RNA)
where:
Base-Base interactions energy: -183.630
where: short stacking energy: -84.493
Base-Backbone interact. energy: -0.096
local terms energy: -90.256789
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -255.550582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.550582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.550582 (E_RNA)
where:
Base-Base interactions energy: -163.726
where: short stacking energy: -72.485
Base-Backbone interact. energy: -0.097
local terms energy: -91.726802
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -213.129929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.129929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.129929 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -72.270
Base-Backbone interact. energy: -1.134
local terms energy: -80.454152
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -209.534171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.534171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.534171 (E_RNA)
where:
Base-Base interactions energy: -140.093
where: short stacking energy: -60.854
Base-Backbone interact. energy: -1.782
local terms energy: -67.660078
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -7.073
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: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -172.099915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.099915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.099915 (E_RNA)
where:
Base-Base interactions energy: -108.745
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.372
local terms energy: -62.983209
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -96.689732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.689732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.689732 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -35.162
Base-Backbone interact. energy: 0.409
local terms energy: -61.936963
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -91.446088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.446088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.446088 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.678
local terms energy: -57.364498
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -301.910519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.910519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.910519 (E_RNA)
where:
Base-Base interactions energy: -206.791
where: short stacking energy: -84.508
Base-Backbone interact. energy: -0.123
local terms energy: -94.996283
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -289.754919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.754919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.754919 (E_RNA)
where:
Base-Base interactions energy: -187.712
where: short stacking energy: -87.850
Base-Backbone interact. energy: -0.382
local terms energy: -101.661111
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -287.358626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.358626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.358626 (E_RNA)
where:
Base-Base interactions energy: -192.424
where: short stacking energy: -92.502
Base-Backbone interact. energy: -0.009
local terms energy: -94.925777
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -16.138
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: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -285.084240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.084240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.084240 (E_RNA)
where:
Base-Base interactions energy: -196.103
where: short stacking energy: -84.409
Base-Backbone interact. energy: -0.265
local terms energy: -88.715809
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -15.176
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: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -246.506301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.506301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.506301 (E_RNA)
where:
Base-Base interactions energy: -163.982
where: short stacking energy: -71.349
Base-Backbone interact. energy: 1.946
local terms energy: -84.470855
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -211.695181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.695181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.695181 (E_RNA)
where:
Base-Base interactions energy: -126.246
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.278
local terms energy: -85.171385
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -13.423
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: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -204.500325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.500325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.500325 (E_RNA)
where:
Base-Base interactions energy: -123.965
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.110
local terms energy: -80.425115
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -138.043909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.043909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.043909 (E_RNA)
where:
Base-Base interactions energy: -74.119
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.214
local terms energy: -63.710535
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -154.764222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.764222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.764222 (E_RNA)
where:
Base-Base interactions energy: -97.633
where: short stacking energy: -45.666
Base-Backbone interact. energy: -0.297
local terms energy: -56.834076
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -91.280175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280175 (E_RNA)
where:
Base-Base interactions energy: -29.649
where: short stacking energy: -20.209
Base-Backbone interact. energy: -0.169
local terms energy: -61.462595
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -310.596007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.596007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.596007 (E_RNA)
where:
Base-Base interactions energy: -204.893
where: short stacking energy: -94.512
Base-Backbone interact. energy: -0.836
local terms energy: -104.867129
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -285.626373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.626373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.626373 (E_RNA)
where:
Base-Base interactions energy: -189.710
where: short stacking energy: -86.209
Base-Backbone interact. energy: -0.030
local terms energy: -95.885940
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -28.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -291.618875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.618875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.618875 (E_RNA)
where:
Base-Base interactions energy: -197.596
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.291
local terms energy: -93.731667
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -14.879
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: 4, replica: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -287.723595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.723595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.723595 (E_RNA)
where:
Base-Base interactions energy: -186.141
where: short stacking energy: -87.688
Base-Backbone interact. energy: 1.269
local terms energy: -102.851548
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -16.648
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: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -246.184956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.184956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.184956 (E_RNA)
where:
Base-Base interactions energy: -156.904
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.468
local terms energy: -88.813245
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -17.655
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: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -226.049947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.049947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.049947 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -52.401
Base-Backbone interact. energy: 0.274
local terms energy: -79.884757
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -228.762296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.762296 (E_RNA)
where:
Base-Base interactions energy: -147.809
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.063
local terms energy: -80.890496
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -116.451306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.451306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.451306 (E_RNA)
where:
Base-Base interactions energy: -55.653
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.286
local terms energy: -60.512591
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -183.290269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.290269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.290269 (E_RNA)
where:
Base-Base interactions energy: -100.398
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.010
local terms energy: -82.882458
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -14.184
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: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -110.974218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.974218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.974218 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -39.058
Base-Backbone interact. energy: 0.287
local terms energy: -65.727249
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -4.469
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: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -306.262022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.262022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.262022 (E_RNA)
where:
Base-Base interactions energy: -212.860
where: short stacking energy: -79.430
Base-Backbone interact. energy: -0.126
local terms energy: -93.275245
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -302.600739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.600739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.600739 (E_RNA)
where:
Base-Base interactions energy: -203.087
where: short stacking energy: -77.481
Base-Backbone interact. energy: -0.142
local terms energy: -99.372358
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -27.075
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -283.579586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.579586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.579586 (E_RNA)
where:
Base-Base interactions energy: -191.575
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.612
local terms energy: -91.393230
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -25.468
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: 489
Temperature: 1.050000
Total energy: -270.434947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.434947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.434947 (E_RNA)
where:
Base-Base interactions energy: -186.663
where: short stacking energy: -81.673
Base-Backbone interact. energy: -0.040
local terms energy: -83.732567
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -270.209307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.209307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.209307 (E_RNA)
where:
Base-Base interactions energy: -182.626
where: short stacking energy: -84.657
Base-Backbone interact. energy: -0.418
local terms energy: -87.165314
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -25.206
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: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -221.124454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.124454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.124454 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.070
local terms energy: -81.236096
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -19.637
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: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -227.639560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.639560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.639560 (E_RNA)
where:
Base-Base interactions energy: -153.623
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.411
local terms energy: -73.605919
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -212.672291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672291 (E_RNA)
where:
Base-Base interactions energy: -125.645
where: short stacking energy: -64.646
Base-Backbone interact. energy: 0.032
local terms energy: -87.059287
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -98.164023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164023 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.494
local terms energy: -61.751145
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -105.320862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.320862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.320862 (E_RNA)
where:
Base-Base interactions energy: -49.425
where: short stacking energy: -27.790
Base-Backbone interact. energy: -0.460
local terms energy: -55.435697
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -302.366420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.366420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.366420 (E_RNA)
where:
Base-Base interactions energy: -210.100
where: short stacking energy: -94.526
Base-Backbone interact. energy: -0.056
local terms energy: -92.210462
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -302.033025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.033025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.033025 (E_RNA)
where:
Base-Base interactions energy: -205.360
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.003
local terms energy: -96.669992
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -295.960041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.960041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.960041 (E_RNA)
where:
Base-Base interactions energy: -197.617
where: short stacking energy: -91.517
Base-Backbone interact. energy: -0.002
local terms energy: -98.340608
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -20.956
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -30.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -288.810944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.810944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.810944 (E_RNA)
where:
Base-Base interactions energy: -189.646
where: short stacking energy: -86.377
Base-Backbone interact. energy: -0.660
local terms energy: -98.505105
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -29.968
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: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -281.386726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.386726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.386726 (E_RNA)
where:
Base-Base interactions energy: -185.650
where: short stacking energy: -93.162
Base-Backbone interact. energy: -0.204
local terms energy: -95.533546
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -213.266878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.266878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.266878 (E_RNA)
where:
Base-Base interactions energy: -143.027
where: short stacking energy: -50.197
Base-Backbone interact. energy: -0.409
local terms energy: -69.830731
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -222.293712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.293712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.293712 (E_RNA)
where:
Base-Base interactions energy: -143.412
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.403
local terms energy: -78.478779
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -199.510294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510294 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.143
local terms energy: -76.622340
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -111.305623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.305623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.305623 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.115
local terms energy: -64.062875
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -84.417764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417764 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.441
local terms energy: -54.417562
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -291.907098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.907098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.907098 (E_RNA)
where:
Base-Base interactions energy: -199.703
where: short stacking energy: -87.458
Base-Backbone interact. energy: -0.304
local terms energy: -91.899209
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -293.394477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.394477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.394477 (E_RNA)
where:
Base-Base interactions energy: -200.165
where: short stacking energy: -83.648
Base-Backbone interact. energy: -0.002
local terms energy: -93.227581
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -286.246436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.246436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.246436 (E_RNA)
where:
Base-Base interactions energy: -190.976
where: short stacking energy: -79.530
Base-Backbone interact. energy: -0.001
local terms energy: -95.269667
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -292.700387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.700387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.700387 (E_RNA)
where:
Base-Base interactions energy: -194.483
where: short stacking energy: -97.052
Base-Backbone interact. energy: -0.261
local terms energy: -97.956419
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -28.579
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: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -269.817099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.817099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.817099 (E_RNA)
where:
Base-Base interactions energy: -178.867
where: short stacking energy: -75.925
Base-Backbone interact. energy: -0.347
local terms energy: -90.602920
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -26.786
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: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -207.000174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.000174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.000174 (E_RNA)
where:
Base-Base interactions energy: -129.673
where: short stacking energy: -71.965
Base-Backbone interact. energy: -0.025
local terms energy: -77.302384
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -15.215
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -211.045007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045007 (E_RNA)
where:
Base-Base interactions energy: -131.387
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.833
local terms energy: -78.825377
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -13.024
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: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -134.162552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.162552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.162552 (E_RNA)
where:
Base-Base interactions energy: -73.200
where: short stacking energy: -34.613
Base-Backbone interact. energy: -1.402
local terms energy: -59.561019
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -202.426195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426195 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.136
local terms energy: -65.235148
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -96.453717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.453717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.453717 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.282
local terms energy: -58.431387
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: 6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -300.601465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.601465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.601465 (E_RNA)
where:
Base-Base interactions energy: -206.896
where: short stacking energy: -88.605
Base-Backbone interact. energy: -0.529
local terms energy: -93.176019
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -28.057
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: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -277.603171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.603171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.603171 (E_RNA)
where:
Base-Base interactions energy: -187.840
where: short stacking energy: -76.957
Base-Backbone interact. energy: 0.082
local terms energy: -89.845351
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -292.908327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.908327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.908327 (E_RNA)
where:
Base-Base interactions energy: -193.515
where: short stacking energy: -86.890
Base-Backbone interact. energy: -0.120
local terms energy: -99.273090
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -12.617
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: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -292.790547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.790547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.790547 (E_RNA)
where:
Base-Base interactions energy: -198.576
where: short stacking energy: -78.492
Base-Backbone interact. energy: 0.049
local terms energy: -94.263741
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -25.684
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: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -268.529589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.529589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.529589 (E_RNA)
where:
Base-Base interactions energy: -174.119
where: short stacking energy: -78.767
Base-Backbone interact. energy: -0.064
local terms energy: -94.346499
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -187.122604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.122604 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -53.282
Base-Backbone interact. energy: -0.096
local terms energy: -63.773866
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -11.003
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: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -123.691291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.691291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.691291 (E_RNA)
where:
Base-Base interactions energy: -59.896
where: short stacking energy: -33.661
Base-Backbone interact. energy: -0.067
local terms energy: -63.728515
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -203.921884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.921884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.921884 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.302
local terms energy: -69.855792
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -95.568025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568025 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.229
local terms energy: -53.177929
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -152.242947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.242947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.242947 (E_RNA)
where:
Base-Base interactions energy: -86.650
where: short stacking energy: -38.978
Base-Backbone interact. energy: -0.151
local terms energy: -65.442222
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -300.311905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.311905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.311905 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -96.738
Base-Backbone interact. energy: -1.026
local terms energy: -103.213451
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -294.431285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.431285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.431285 (E_RNA)
where:
Base-Base interactions energy: -198.565
where: short stacking energy: -94.203
Base-Backbone interact. energy: -0.721
local terms energy: -95.144984
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -29.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -266.423164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.423164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.423164 (E_RNA)
where:
Base-Base interactions energy: -174.426
where: short stacking energy: -84.947
Base-Backbone interact. energy: -0.007
local terms energy: -91.989885
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -265.956099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.956099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.956099 (E_RNA)
where:
Base-Base interactions energy: -181.446
where: short stacking energy: -79.061
Base-Backbone interact. energy: -0.115
local terms energy: -84.394588
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -18.976
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: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -224.614671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.614671 (E_RNA)
where:
Base-Base interactions energy: -152.273
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.099
local terms energy: -72.242928
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -194.322304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.322304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.322304 (E_RNA)
where:
Base-Base interactions energy: -118.839
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.263
local terms energy: -75.220837
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -14.637
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: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -141.489164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.489164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.489164 (E_RNA)
where:
Base-Base interactions energy: -69.515
where: short stacking energy: -44.826
Base-Backbone interact. energy: -0.472
local terms energy: -71.501443
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -182.727992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.727992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.727992 (E_RNA)
where:
Base-Base interactions energy: -120.586
where: short stacking energy: -47.219
Base-Backbone interact. energy: 0.737
local terms energy: -62.878947
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -89.984259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.984259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.984259 (E_RNA)
where:
Base-Base interactions energy: -42.736
where: short stacking energy: -20.371
Base-Backbone interact. energy: 0.414
local terms energy: -47.662473
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -1.318
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: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -154.389339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.389339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.389339 (E_RNA)
where:
Base-Base interactions energy: -93.836
where: short stacking energy: -42.117
Base-Backbone interact. energy: 0.169
local terms energy: -60.721917
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -301.306935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.306935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.306935 (E_RNA)
where:
Base-Base interactions energy: -194.656
where: short stacking energy: -91.940
Base-Backbone interact. energy: -0.047
local terms energy: -106.603871
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -31.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -296.038629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.038629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.038629 (E_RNA)
where:
Base-Base interactions energy: -193.836
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.152
local terms energy: -102.050580
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -264.122775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.122775 (E_RNA)
where:
Base-Base interactions energy: -180.242
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.290
local terms energy: -83.590879
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -21.781
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: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -283.912425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.912425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912425 (E_RNA)
where:
Base-Base interactions energy: -185.838
where: short stacking energy: -91.046
Base-Backbone interact. energy: -0.056
local terms energy: -98.017931
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -29.976
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: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -224.918160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.918160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.918160 (E_RNA)
where:
Base-Base interactions energy: -147.601
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.412
local terms energy: -76.905188
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -15.251
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: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -210.997594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.997594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.997594 (E_RNA)
where:
Base-Base interactions energy: -141.181
where: short stacking energy: -52.715
Base-Backbone interact. energy: -0.149
local terms energy: -69.668059
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -218.387667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.387667 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.168
local terms energy: -82.839152
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -192.945189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.945189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.945189 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -46.613
Base-Backbone interact. energy: -0.065
local terms energy: -58.341986
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -167.337172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.337172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.337172 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -50.976
Base-Backbone interact. energy: -2.207
local terms energy: -61.377730
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -98.334197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.334197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.334197 (E_RNA)
where:
Base-Base interactions energy: -35.883
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.121
local terms energy: -62.330933
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: 1.093
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)
out arg RESULTS//1/uri-0d6d7070_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -307.080466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.080466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.080466 (E_RNA)
where:
Base-Base interactions energy: -202.511
where: short stacking energy: -102.161
Base-Backbone interact. energy: -0.181
local terms energy: -104.388326
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -288.308834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.308834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.308834 (E_RNA)
where:
Base-Base interactions energy: -194.851
where: short stacking energy: -87.241
Base-Backbone interact. energy: -0.013
local terms energy: -93.444523
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -287.091129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091129 (E_RNA)
where:
Base-Base interactions energy: -198.949
where: short stacking energy: -92.637
Base-Backbone interact. energy: 0.417
local terms energy: -88.558872
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -287.728164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.728164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.728164 (E_RNA)
where:
Base-Base interactions energy: -186.338
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.317
local terms energy: -101.073021
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -27.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -220.421556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.421556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.421556 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -59.062
Base-Backbone interact. energy: 0.982
local terms energy: -68.869306
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -258.824550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.824550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.824550 (E_RNA)
where:
Base-Base interactions energy: -166.121
where: short stacking energy: -80.504
Base-Backbone interact. energy: -0.212
local terms energy: -92.491422
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -26.578
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: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -182.803820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.803820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803820 (E_RNA)
where:
Base-Base interactions energy: -117.002
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.363
local terms energy: -65.438539
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -171.609061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.609061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.609061 (E_RNA)
where:
Base-Base interactions energy: -107.932
where: short stacking energy: -54.362
Base-Backbone interact. energy: 2.063
local terms energy: -65.739907
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.503
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: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -176.061418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061418 (E_RNA)
where:
Base-Base interactions energy: -115.696
where: short stacking energy: -51.739
Base-Backbone interact. energy: -0.408
local terms energy: -59.956944
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -93.300828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.300828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.300828 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -17.235
Base-Backbone interact. energy: -0.589
local terms energy: -53.809028
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE