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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/polyA-7eb00c68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/polyA-7eb00c68/inputs/seq.fa: 1
curr_seq: _AAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAA
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 8 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: 45
n_atoms_counter: 45
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -27.391158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.391158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.391158 (E_RNA)
where:
Base-Base interactions energy: -0.158
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.000
local terms energy: -27.233110
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -56.249803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.249803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.249803 (E_RNA)
where:
Base-Base interactions energy: -25.075
where: short stacking energy: -25.075
Base-Backbone interact. energy: -0.000
local terms energy: -31.175266
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -48.404708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.404708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.404708 (E_RNA)
where:
Base-Base interactions energy: -20.162
where: short stacking energy: -20.162
Base-Backbone interact. energy: 0.711
local terms energy: -28.952998
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -46.315554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.315554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.315554 (E_RNA)
where:
Base-Base interactions energy: -20.397
where: short stacking energy: -20.135
Base-Backbone interact. energy: -0.014
local terms energy: -25.904174
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -42.748623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.748623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.748623 (E_RNA)
where:
Base-Base interactions energy: -15.095
where: short stacking energy: -15.095
Base-Backbone interact. energy: 1.225
local terms energy: -28.879001
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -37.445144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.445144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.445144 (E_RNA)
where:
Base-Base interactions energy: -14.380
where: short stacking energy: -14.380
Base-Backbone interact. energy: -0.001
local terms energy: -23.064060
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -2.369
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -33.987145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.987145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.987145 (E_RNA)
where:
Base-Base interactions energy: -9.925
where: short stacking energy: -9.925
Base-Backbone interact. energy: -0.002
local terms energy: -24.060442
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -34.586061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.586061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.586061 (E_RNA)
where:
Base-Base interactions energy: -16.021
where: short stacking energy: -15.442
Base-Backbone interact. energy: -0.099
local terms energy: -18.465932
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -5.068
flat angles C4'-P-C4' energy: -5.089
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -31.577917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.577917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.577917 (E_RNA)
where:
Base-Base interactions energy: -7.517
where: short stacking energy: -7.517
Base-Backbone interact. energy: -0.000
local terms energy: -24.061345
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.902
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -42.504345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.504345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.504345 (E_RNA)
where:
Base-Base interactions energy: -22.766
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.000
local terms energy: -19.737963
where:
bonds (distance) C4'-P energy: -1.480
bonds (distance) P-C4' energy: -5.170
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -0.660
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -35.748138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.748138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.748138 (E_RNA)
where:
Base-Base interactions energy: -13.135
where: short stacking energy: -13.135
Base-Backbone interact. energy: -0.087
local terms energy: -22.526641
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -2.734
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -55.978884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.978884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.978884 (E_RNA)
where:
Base-Base interactions energy: -23.315
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.000
local terms energy: -32.664152
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.728
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -45.690106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.690106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.690106 (E_RNA)
where:
Base-Base interactions energy: -16.855
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.052
local terms energy: -28.783556
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.300
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -4.557
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: 3
Temperature: 1.000000
Total energy: -44.155285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.155285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.155285 (E_RNA)
where:
Base-Base interactions energy: -14.591
where: short stacking energy: -14.591
Base-Backbone interact. energy: -0.000
local terms energy: -29.564358
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -4.132
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -36.344082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.344082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.344082 (E_RNA)
where:
Base-Base interactions energy: -12.074
where: short stacking energy: -12.074
Base-Backbone interact. energy: -0.527
local terms energy: -23.743723
where:
bonds (distance) C4'-P energy: -4.901
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -4.702
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -44.925969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.925969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.925969 (E_RNA)
where:
Base-Base interactions energy: -18.955
where: short stacking energy: -18.955
Base-Backbone interact. energy: -0.006
local terms energy: -25.964837
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -4.385
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -44.619638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.619638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.619638 (E_RNA)
where:
Base-Base interactions energy: -19.098
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.000
local terms energy: -25.521040
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -36.400921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.400921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.400921 (E_RNA)
where:
Base-Base interactions energy: -15.780
where: short stacking energy: -15.780
Base-Backbone interact. energy: -0.010
local terms energy: -20.610635
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.284
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -42.261573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.261573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.261573 (E_RNA)
where:
Base-Base interactions energy: -14.389
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.000
local terms energy: -27.872717
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -36.759936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.759936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.759936 (E_RNA)
where:
Base-Base interactions energy: -13.284
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.037
local terms energy: -23.439306
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -4.538
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -32.588987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.588987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.588987 (E_RNA)
where:
Base-Base interactions energy: -11.599
where: short stacking energy: -11.599
Base-Backbone interact. energy: -0.054
local terms energy: -20.936771
where:
bonds (distance) C4'-P energy: -5.240
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.296
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -51.483502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.483502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.483502 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.021
local terms energy: -29.139311
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -48.714767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.714767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.714767 (E_RNA)
where:
Base-Base interactions energy: -19.070
where: short stacking energy: -19.070
Base-Backbone interact. energy: -0.056
local terms energy: -29.589183
where:
bonds (distance) C4'-P energy: -4.746
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -6.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -46.395636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.395636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.395636 (E_RNA)
where:
Base-Base interactions energy: -18.529
where: short stacking energy: -18.529
Base-Backbone interact. energy: -0.057
local terms energy: -27.809136
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.239
flat angles P-C4'-P energy: -4.119
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -50.961288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.961288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.961288 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -19.768
Base-Backbone interact. energy: -0.002
local terms energy: -31.190910
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -6.405
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -40.933499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.933499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.933499 (E_RNA)
where:
Base-Base interactions energy: -16.461
where: short stacking energy: -15.921
Base-Backbone interact. energy: -0.000
local terms energy: -24.472469
where:
bonds (distance) C4'-P energy: -2.859
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -1.890
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -47.991814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.991814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.991814 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.000
local terms energy: -26.852103
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -5.299
flat angles C4'-P-C4' energy: -5.235
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -46.702364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.702364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.702364 (E_RNA)
where:
Base-Base interactions energy: -21.350
where: short stacking energy: -21.350
Base-Backbone interact. energy: -0.000
local terms energy: -25.351902
where:
bonds (distance) C4'-P energy: -3.338
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -34.533581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.533581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.533581 (E_RNA)
where:
Base-Base interactions energy: -8.706
where: short stacking energy: -8.706
Base-Backbone interact. energy: -0.003
local terms energy: -25.824410
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -4.619
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -36.692327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.692327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.692327 (E_RNA)
where:
Base-Base interactions energy: -12.669
where: short stacking energy: -12.669
Base-Backbone interact. energy: -0.079
local terms energy: -23.943835
where:
bonds (distance) C4'-P energy: -5.976
bonds (distance) P-C4' energy: -6.005
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -3.417
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -33.288105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.288105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.288105 (E_RNA)
where:
Base-Base interactions energy: -8.312
where: short stacking energy: -8.312
Base-Backbone interact. energy: -0.111
local terms energy: -24.865103
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -50.062126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.062126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.062126 (E_RNA)
where:
Base-Base interactions energy: -22.187
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.002
local terms energy: -27.872910
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -3.523
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -44.374151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.374151 (E_RNA)
where:
Base-Base interactions energy: -19.463
where: short stacking energy: -19.463
Base-Backbone interact. energy: -0.001
local terms energy: -24.910025
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -46.682633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.682633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.682633 (E_RNA)
where:
Base-Base interactions energy: -19.029
where: short stacking energy: -19.029
Base-Backbone interact. energy: -0.000
local terms energy: -27.653109
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.307
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -5.206
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -44.266192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.266192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.266192 (E_RNA)
where:
Base-Base interactions energy: -16.128
where: short stacking energy: -14.467
Base-Backbone interact. energy: -0.000
local terms energy: -28.137867
where:
bonds (distance) C4'-P energy: -6.275
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -6.687
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -37.510414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.510414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.510414 (E_RNA)
where:
Base-Base interactions energy: -14.721
where: short stacking energy: -14.721
Base-Backbone interact. energy: -0.023
local terms energy: -22.766387
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -37.812115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.812115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.812115 (E_RNA)
where:
Base-Base interactions energy: -14.709
where: short stacking energy: -14.709
Base-Backbone interact. energy: -0.136
local terms energy: -22.966912
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -46.381419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.381419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.381419 (E_RNA)
where:
Base-Base interactions energy: -17.624
where: short stacking energy: -17.624
Base-Backbone interact. energy: -0.000
local terms energy: -28.757294
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -2.516
tors. eta vs tors. theta energy: -5.511
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: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -41.736099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.736099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.736099 (E_RNA)
where:
Base-Base interactions energy: -17.239
where: short stacking energy: -15.566
Base-Backbone interact. energy: -0.708
local terms energy: -23.788515
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -31.985724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.985724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.985724 (E_RNA)
where:
Base-Base interactions energy: -10.078
where: short stacking energy: -9.165
Base-Backbone interact. energy: -0.055
local terms energy: -21.852808
where:
bonds (distance) C4'-P energy: 0.118
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -33.824604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.824604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.824604 (E_RNA)
where:
Base-Base interactions energy: -15.692
where: short stacking energy: -14.896
Base-Backbone interact. energy: -0.006
local terms energy: -18.126954
where:
bonds (distance) C4'-P energy: -4.804
bonds (distance) P-C4' energy: -4.386
flat angles C4'-P-C4' energy: -5.178
flat angles P-C4'-P energy: -1.919
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -50.186163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.186163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.186163 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -20.894
Base-Backbone interact. energy: -0.000
local terms energy: -28.573370
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.067
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -51.014979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.014979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.014979 (E_RNA)
where:
Base-Base interactions energy: -20.990
where: short stacking energy: -20.990
Base-Backbone interact. energy: -0.000
local terms energy: -30.024957
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -46.792749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.792749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.792749 (E_RNA)
where:
Base-Base interactions energy: -19.619
where: short stacking energy: -16.048
Base-Backbone interact. energy: -0.480
local terms energy: -26.693219
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -45.248946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.248946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.248946 (E_RNA)
where:
Base-Base interactions energy: -20.087
where: short stacking energy: -20.087
Base-Backbone interact. energy: -0.002
local terms energy: -25.159651
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -1.816
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -42.235653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.235653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.235653 (E_RNA)
where:
Base-Base interactions energy: -18.313
where: short stacking energy: -16.266
Base-Backbone interact. energy: -0.002
local terms energy: -23.920780
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -44.592517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.592517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.592517 (E_RNA)
where:
Base-Base interactions energy: -21.023
where: short stacking energy: -21.023
Base-Backbone interact. energy: -0.001
local terms energy: -23.568641
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.519
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -43.022767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.022767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.022767 (E_RNA)
where:
Base-Base interactions energy: -19.188
where: short stacking energy: -15.988
Base-Backbone interact. energy: -0.000
local terms energy: -23.834642
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -0.437
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -37.537700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.537700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.537700 (E_RNA)
where:
Base-Base interactions energy: -13.499
where: short stacking energy: -13.499
Base-Backbone interact. energy: -0.090
local terms energy: -23.949279
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -33.037908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.037908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.037908 (E_RNA)
where:
Base-Base interactions energy: -13.499
where: short stacking energy: -13.499
Base-Backbone interact. energy: -0.000
local terms energy: -19.538744
where:
bonds (distance) C4'-P energy: -5.716
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: 0.028
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -32.747527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.747527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.747527 (E_RNA)
where:
Base-Base interactions energy: -8.671
where: short stacking energy: -5.555
Base-Backbone interact. energy: -0.027
local terms energy: -24.049511
where:
bonds (distance) C4'-P energy: -5.136
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -53.307406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.307406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.307406 (E_RNA)
where:
Base-Base interactions energy: -23.616
where: short stacking energy: -23.616
Base-Backbone interact. energy: -0.001
local terms energy: -29.690750
where:
bonds (distance) C4'-P energy: -5.533
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -60.442339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.442339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.442339 (E_RNA)
where:
Base-Base interactions energy: -29.334
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.000
local terms energy: -31.108132
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -42.818596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.818596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.818596 (E_RNA)
where:
Base-Base interactions energy: -18.835
where: short stacking energy: -18.835
Base-Backbone interact. energy: -0.001
local terms energy: -23.982628
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -4.959
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -4.847
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: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -49.812421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.812421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.812421 (E_RNA)
where:
Base-Base interactions energy: -20.853
where: short stacking energy: -20.853
Base-Backbone interact. energy: -0.000
local terms energy: -28.959549
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -6.080
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: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -35.149900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.149900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.149900 (E_RNA)
where:
Base-Base interactions energy: -12.071
where: short stacking energy: -12.071
Base-Backbone interact. energy: -0.027
local terms energy: -23.051745
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -2.101
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -39.705651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.705651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.705651 (E_RNA)
where:
Base-Base interactions energy: -16.979
where: short stacking energy: -14.076
Base-Backbone interact. energy: -0.199
local terms energy: -22.527842
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -41.797954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.797954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.797954 (E_RNA)
where:
Base-Base interactions energy: -17.344
where: short stacking energy: -17.344
Base-Backbone interact. energy: -0.009
local terms energy: -24.444871
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -1.339
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: 8, replica: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -38.496726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.496726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.496726 (E_RNA)
where:
Base-Base interactions energy: -13.111
where: short stacking energy: -13.111
Base-Backbone interact. energy: -0.000
local terms energy: -25.385690
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -4.921
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -37.867330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.867330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.867330 (E_RNA)
where:
Base-Base interactions energy: -14.641
where: short stacking energy: -14.641
Base-Backbone interact. energy: -0.063
local terms energy: -23.163209
where:
bonds (distance) C4'-P energy: -6.601
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -3.997
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -32.586635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.586635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.586635 (E_RNA)
where:
Base-Base interactions energy: -7.265
where: short stacking energy: -7.265
Base-Backbone interact. energy: -0.175
local terms energy: -25.147355
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -0.108
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -54.893971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.893971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.893971 (E_RNA)
where:
Base-Base interactions energy: -26.497
where: short stacking energy: -26.497
Base-Backbone interact. energy: -0.000
local terms energy: -28.396520
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -7.619
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -51.460979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.460979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.460979 (E_RNA)
where:
Base-Base interactions energy: -22.065
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.000
local terms energy: -29.395876
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -53.463755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.463755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.463755 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.000
local terms energy: -26.901109
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -44.740948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.740948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.740948 (E_RNA)
where:
Base-Base interactions energy: -16.706
where: short stacking energy: -16.706
Base-Backbone interact. energy: -0.000
local terms energy: -28.034756
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -41.690212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.690212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.690212 (E_RNA)
where:
Base-Base interactions energy: -18.552
where: short stacking energy: -18.552
Base-Backbone interact. energy: -0.002
local terms energy: -23.136650
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -3.815
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -36.493471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.493471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.493471 (E_RNA)
where:
Base-Base interactions energy: -12.901
where: short stacking energy: -12.284
Base-Backbone interact. energy: -0.050
local terms energy: -23.542020
where:
bonds (distance) C4'-P energy: -2.871
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -2.953
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: 8
Temperature: 1.200000
Total energy: -43.138672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.138672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.138672 (E_RNA)
where:
Base-Base interactions energy: -18.757
where: short stacking energy: -16.352
Base-Backbone interact. energy: -0.093
local terms energy: -24.288527
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -38.825296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.825296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.825296 (E_RNA)
where:
Base-Base interactions energy: -13.395
where: short stacking energy: -12.879
Base-Backbone interact. energy: -0.067
local terms energy: -25.363515
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -2.709
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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -34.381555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.381555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.381555 (E_RNA)
where:
Base-Base interactions energy: -13.536
where: short stacking energy: -13.507
Base-Backbone interact. energy: -0.001
local terms energy: -20.844555
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.509
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -33.979583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.979583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.979583 (E_RNA)
where:
Base-Base interactions energy: -11.197
where: short stacking energy: -9.074
Base-Backbone interact. energy: -0.048
local terms energy: -22.734566
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -2.475
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: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -49.839893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.839893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.839893 (E_RNA)
where:
Base-Base interactions energy: -19.504
where: short stacking energy: -19.504
Base-Backbone interact. energy: -0.000
local terms energy: -30.335448
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -3.654
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -51.498508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.498508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.498508 (E_RNA)
where:
Base-Base interactions energy: -22.285
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.000
local terms energy: -29.213784
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -52.557491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.557491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.557491 (E_RNA)
where:
Base-Base interactions energy: -24.287
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.000
local terms energy: -28.270648
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.842
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -48.875065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.875065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.875065 (E_RNA)
where:
Base-Base interactions energy: -20.221
where: short stacking energy: -20.221
Base-Backbone interact. energy: -0.000
local terms energy: -28.653761
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -6.781
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -39.590761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.590761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.590761 (E_RNA)
where:
Base-Base interactions energy: -13.379
where: short stacking energy: -12.666
Base-Backbone interact. energy: -0.000
local terms energy: -26.211976
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -32.634964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.634964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.634964 (E_RNA)
where:
Base-Base interactions energy: -12.794
where: short stacking energy: -12.794
Base-Backbone interact. energy: -0.032
local terms energy: -19.809000
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -39.111576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.111576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.111576 (E_RNA)
where:
Base-Base interactions energy: -16.310
where: short stacking energy: -16.310
Base-Backbone interact. energy: -0.000
local terms energy: -22.801247
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.724
flat angles P-C4'-P energy: -0.635
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -41.829023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.829023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.829023 (E_RNA)
where:
Base-Base interactions energy: -17.339
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.011
local terms energy: -24.478507
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -36.102855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102855 (E_RNA)
where:
Base-Base interactions energy: -8.896
where: short stacking energy: -8.896
Base-Backbone interact. energy: -0.100
local terms energy: -27.106889
where:
bonds (distance) C4'-P energy: -6.722
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -32.632443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.632443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.632443 (E_RNA)
where:
Base-Base interactions energy: -9.305
where: short stacking energy: -9.305
Base-Backbone interact. energy: -0.001
local terms energy: -23.326685
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -54.061202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.061202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.061202 (E_RNA)
where:
Base-Base interactions energy: -21.836
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.000
local terms energy: -32.225004
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -3.977
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: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -50.952122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.952122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.952122 (E_RNA)
where:
Base-Base interactions energy: -20.203
where: short stacking energy: -18.561
Base-Backbone interact. energy: -0.001
local terms energy: -30.748936
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -46.270453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.270453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.270453 (E_RNA)
where:
Base-Base interactions energy: -19.449
where: short stacking energy: -19.449
Base-Backbone interact. energy: -0.000
local terms energy: -26.821054
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -5.192
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: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -53.003871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.003871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.003871 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.000
local terms energy: -26.688143
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -44.788251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.788251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.788251 (E_RNA)
where:
Base-Base interactions energy: -18.158
where: short stacking energy: -17.273
Base-Backbone interact. energy: -0.000
local terms energy: -26.630110
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -4.532
flat angles C4'-P-C4' energy: -5.089
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -44.813962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.813962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.813962 (E_RNA)
where:
Base-Base interactions energy: -22.725
where: short stacking energy: -22.725
Base-Backbone interact. energy: -0.000
local terms energy: -22.088645
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.409
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -3.012
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: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -42.603675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.603675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.603675 (E_RNA)
where:
Base-Base interactions energy: -17.517
where: short stacking energy: -17.517
Base-Backbone interact. energy: -0.017
local terms energy: -25.070028
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -4.306
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -38.455348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.455348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.455348 (E_RNA)
where:
Base-Base interactions energy: -12.710
where: short stacking energy: -9.338
Base-Backbone interact. energy: -0.060
local terms energy: -25.685430
where:
bonds (distance) C4'-P energy: -4.440
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -33.862737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.862737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.862737 (E_RNA)
where:
Base-Base interactions energy: -13.891
where: short stacking energy: -10.573
Base-Backbone interact. energy: -0.001
local terms energy: -19.971363
where:
bonds (distance) C4'-P energy: -6.213
bonds (distance) P-C4' energy: -5.630
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: 0.222
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: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -36.086500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086500 (E_RNA)
where:
Base-Base interactions energy: -16.686
where: short stacking energy: -13.281
Base-Backbone interact. energy: -0.004
local terms energy: -19.396418
where:
bonds (distance) C4'-P energy: -2.403
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -47.855407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.855407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.855407 (E_RNA)
where:
Base-Base interactions energy: -21.023
where: short stacking energy: -21.023
Base-Backbone interact. energy: -0.000
local terms energy: -26.832671
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -51.406346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.406346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.406346 (E_RNA)
where:
Base-Base interactions energy: -23.568
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.000
local terms energy: -27.838537
where:
bonds (distance) C4'-P energy: -4.768
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -7.604
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: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -43.148472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.148472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.148472 (E_RNA)
where:
Base-Base interactions energy: -17.279
where: short stacking energy: -16.099
Base-Backbone interact. energy: -0.003
local terms energy: -25.866510
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -41.900582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.900582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.900582 (E_RNA)
where:
Base-Base interactions energy: -14.093
where: short stacking energy: -13.978
Base-Backbone interact. energy: -0.002
local terms energy: -27.805790
where:
bonds (distance) C4'-P energy: -5.718
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -44.767095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.767095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.767095 (E_RNA)
where:
Base-Base interactions energy: -21.331
where: short stacking energy: -21.331
Base-Backbone interact. energy: -0.000
local terms energy: -23.435824
where:
bonds (distance) C4'-P energy: -4.258
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.201
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -46.894796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.894796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.894796 (E_RNA)
where:
Base-Base interactions energy: -16.138
where: short stacking energy: -16.138
Base-Backbone interact. energy: -0.000
local terms energy: -30.757073
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -44.375196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.375196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.375196 (E_RNA)
where:
Base-Base interactions energy: -17.559
where: short stacking energy: -17.559
Base-Backbone interact. energy: -0.002
local terms energy: -26.814209
where:
bonds (distance) C4'-P energy: -4.590
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -5.296
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -43.398380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.398380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.398380 (E_RNA)
where:
Base-Base interactions energy: -16.280
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.090
local terms energy: -27.029136
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -40.875164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.875164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.875164 (E_RNA)
where:
Base-Base interactions energy: -17.861
where: short stacking energy: -15.043
Base-Backbone interact. energy: -0.003
local terms energy: -23.010679
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -0.615
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -32.045989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.045989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.045989 (E_RNA)
where:
Base-Base interactions energy: -13.765
where: short stacking energy: -13.765
Base-Backbone interact. energy: -0.133
local terms energy: -18.147797
where:
bonds (distance) C4'-P energy: -3.388
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -3.713
flat angles P-C4'-P energy: -4.125
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: 12
Temperature: 0.900000
Total energy: -50.198683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.198683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.198683 (E_RNA)
where:
Base-Base interactions energy: -23.141
where: short stacking energy: -23.141
Base-Backbone interact. energy: -0.006
local terms energy: -27.051839
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -6.582
flat angles P-C4'-P energy: -3.223
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -51.988851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.988851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.988851 (E_RNA)
where:
Base-Base interactions energy: -20.976
where: short stacking energy: -20.976
Base-Backbone interact. energy: -0.001
local terms energy: -31.011784
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -7.322
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: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -45.454941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.454941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.454941 (E_RNA)
where:
Base-Base interactions energy: -18.635
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.000
local terms energy: -26.819774
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -50.617260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.617260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.617260 (E_RNA)
where:
Base-Base interactions energy: -22.542
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.000
local terms energy: -28.074944
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -38.127330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.127330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.127330 (E_RNA)
where:
Base-Base interactions energy: -14.344
where: short stacking energy: -14.344
Base-Backbone interact. energy: -0.350
local terms energy: -23.433260
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -4.171
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -38.758903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.758903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.758903 (E_RNA)
where:
Base-Base interactions energy: -14.243
where: short stacking energy: -13.956
Base-Backbone interact. energy: -0.105
local terms energy: -24.410804
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -4.710
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -41.369398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.369398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.369398 (E_RNA)
where:
Base-Base interactions energy: -17.349
where: short stacking energy: -17.349
Base-Backbone interact. energy: -0.001
local terms energy: -24.019562
where:
bonds (distance) C4'-P energy: -4.261
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -3.483
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: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -38.287994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.287994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.287994 (E_RNA)
where:
Base-Base interactions energy: -13.288
where: short stacking energy: -13.288
Base-Backbone interact. energy: -0.009
local terms energy: -24.991063
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -31.182766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.182766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.182766 (E_RNA)
where:
Base-Base interactions energy: -11.056
where: short stacking energy: -11.056
Base-Backbone interact. energy: -0.058
local terms energy: -20.069228
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -2.065
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -30.550647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.550647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.550647 (E_RNA)
where:
Base-Base interactions energy: -8.267
where: short stacking energy: -8.179
Base-Backbone interact. energy: -0.000
local terms energy: -22.284130
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -49.639874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.639874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.639874 (E_RNA)
where:
Base-Base interactions energy: -21.312
where: short stacking energy: -21.312
Base-Backbone interact. energy: -0.000
local terms energy: -28.327599
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -4.685
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -50.790745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.790745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.790745 (E_RNA)
where:
Base-Base interactions energy: -22.376
where: short stacking energy: -22.376
Base-Backbone interact. energy: -0.000
local terms energy: -28.414200
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -43.216931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216931 (E_RNA)
where:
Base-Base interactions energy: -14.606
where: short stacking energy: -12.990
Base-Backbone interact. energy: -0.016
local terms energy: -28.595036
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.130
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -4.852
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: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -43.281991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.281991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.281991 (E_RNA)
where:
Base-Base interactions energy: -17.215
where: short stacking energy: -17.215
Base-Backbone interact. energy: -0.000
local terms energy: -26.066679
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.957
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -45.233515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.233515 (E_RNA)
where:
Base-Base interactions energy: -14.814
where: short stacking energy: -13.468
Base-Backbone interact. energy: -0.556
local terms energy: -29.863921
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -43.403479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.403479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.403479 (E_RNA)
where:
Base-Base interactions energy: -17.939
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.005
local terms energy: -25.459487
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -4.948
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -33.131772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.131772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.131772 (E_RNA)
where:
Base-Base interactions energy: -8.362
where: short stacking energy: -6.815
Base-Backbone interact. energy: -0.006
local terms energy: -24.763127
where:
bonds (distance) C4'-P energy: -5.546
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -33.004247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.004247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.004247 (E_RNA)
where:
Base-Base interactions energy: -8.916
where: short stacking energy: -8.916
Base-Backbone interact. energy: -0.000
local terms energy: -24.088210
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.279
flat angles P-C4'-P energy: -1.717
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -36.146969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.146969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.146969 (E_RNA)
where:
Base-Base interactions energy: -15.329
where: short stacking energy: -15.329
Base-Backbone interact. energy: 1.384
local terms energy: -22.202342
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -33.775229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.775229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.775229 (E_RNA)
where:
Base-Base interactions energy: -8.759
where: short stacking energy: -8.759
Base-Backbone interact. energy: -0.020
local terms energy: -24.995849
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -45.590734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.590734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.590734 (E_RNA)
where:
Base-Base interactions energy: -20.276
where: short stacking energy: -18.022
Base-Backbone interact. energy: -0.002
local terms energy: -25.312952
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -49.996031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.996031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.996031 (E_RNA)
where:
Base-Base interactions energy: -20.596
where: short stacking energy: -19.721
Base-Backbone interact. energy: -0.000
local terms energy: -29.399683
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -6.296
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -50.549013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.549013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.549013 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.000
local terms energy: -28.535683
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -45.897103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.897103 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -21.122
Base-Backbone interact. energy: -0.000
local terms energy: -24.774992
where:
bonds (distance) C4'-P energy: -4.018
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.263
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -52.372827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.372827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.372827 (E_RNA)
where:
Base-Base interactions energy: -20.703
where: short stacking energy: -20.703
Base-Backbone interact. energy: -0.060
local terms energy: -31.609884
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -37.034962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.034962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.034962 (E_RNA)
where:
Base-Base interactions energy: -13.922
where: short stacking energy: -12.697
Base-Backbone interact. energy: -0.001
local terms energy: -23.111233
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.242
flat angles P-C4'-P energy: -0.562
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -37.284557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.284557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.284557 (E_RNA)
where:
Base-Base interactions energy: -10.089
where: short stacking energy: -10.089
Base-Backbone interact. energy: -0.049
local terms energy: -27.146131
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -35.286671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.286671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.286671 (E_RNA)
where:
Base-Base interactions energy: -14.837
where: short stacking energy: -14.837
Base-Backbone interact. energy: -0.001
local terms energy: -20.448245
where:
bonds (distance) C4'-P energy: -5.271
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -2.540
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -35.329529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.329529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.329529 (E_RNA)
where:
Base-Base interactions energy: -9.047
where: short stacking energy: -9.047
Base-Backbone interact. energy: -0.055
local terms energy: -26.227888
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -4.539
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -40.153744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.153744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.153744 (E_RNA)
where:
Base-Base interactions energy: -15.898
where: short stacking energy: -15.898
Base-Backbone interact. energy: -0.022
local terms energy: -24.233596
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -53.827949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.827949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.827949 (E_RNA)
where:
Base-Base interactions energy: -24.281
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.096
local terms energy: -29.451409
where:
bonds (distance) C4'-P energy: -4.486
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.552
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -62.951222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.951222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.951222 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.000
local terms energy: -34.684068
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -48.347736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.347736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.347736 (E_RNA)
where:
Base-Base interactions energy: -21.080
where: short stacking energy: -14.489
Base-Backbone interact. energy: -0.031
local terms energy: -27.237002
where:
bonds (distance) C4'-P energy: -4.876
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -45.876821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.876821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.876821 (E_RNA)
where:
Base-Base interactions energy: -18.153
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.000
local terms energy: -27.723347
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -5.345
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -36.473553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.473553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.473553 (E_RNA)
where:
Base-Base interactions energy: -12.324
where: short stacking energy: -12.324
Base-Backbone interact. energy: -0.000
local terms energy: -24.149156
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -0.945
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -35.120406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.120406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.120406 (E_RNA)
where:
Base-Base interactions energy: -15.053
where: short stacking energy: -15.053
Base-Backbone interact. energy: 1.418
local terms energy: -21.485823
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -4.403
flat angles C4'-P-C4' energy: -4.535
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -34.751515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.751515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.751515 (E_RNA)
where:
Base-Base interactions energy: -9.119
where: short stacking energy: -4.597
Base-Backbone interact. energy: -0.308
local terms energy: -25.325191
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -31.430712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.430712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.430712 (E_RNA)
where:
Base-Base interactions energy: -7.902
where: short stacking energy: -7.902
Base-Backbone interact. energy: -0.083
local terms energy: -23.445510
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -36.408049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.408049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.408049 (E_RNA)
where:
Base-Base interactions energy: -14.541
where: short stacking energy: -13.580
Base-Backbone interact. energy: -0.051
local terms energy: -21.816215
where:
bonds (distance) C4'-P energy: -4.056
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -32.690595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.690595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.690595 (E_RNA)
where:
Base-Base interactions energy: -9.678
where: short stacking energy: -9.678
Base-Backbone interact. energy: -0.000
local terms energy: -23.012236
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -56.786264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.786264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.786264 (E_RNA)
where:
Base-Base interactions energy: -22.809
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.000
local terms energy: -33.977706
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -52.629435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.629435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.629435 (E_RNA)
where:
Base-Base interactions energy: -26.796
where: short stacking energy: -22.868
Base-Backbone interact. energy: 0.100
local terms energy: -25.932736
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -3.225
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -49.542416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.542416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.542416 (E_RNA)
where:
Base-Base interactions energy: -20.237
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.000
local terms energy: -29.304746
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -5.323
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -38.317337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.317337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.317337 (E_RNA)
where:
Base-Base interactions energy: -11.741
where: short stacking energy: -11.741
Base-Backbone interact. energy: -0.041
local terms energy: -26.535843
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -3.214
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: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -36.548766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.548766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.548766 (E_RNA)
where:
Base-Base interactions energy: -15.682
where: short stacking energy: -15.682
Base-Backbone interact. energy: 0.064
local terms energy: -20.930870
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -4.431
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -38.780683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.780683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.780683 (E_RNA)
where:
Base-Base interactions energy: -13.096
where: short stacking energy: -13.096
Base-Backbone interact. energy: -0.001
local terms energy: -25.683294
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -38.134126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.134126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.134126 (E_RNA)
where:
Base-Base interactions energy: -15.357
where: short stacking energy: -15.357
Base-Backbone interact. energy: -0.002
local terms energy: -22.774211
where:
bonds (distance) C4'-P energy: -3.029
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -37.189654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.189654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.189654 (E_RNA)
where:
Base-Base interactions energy: -13.601
where: short stacking energy: -13.601
Base-Backbone interact. energy: -0.017
local terms energy: -23.571172
where:
bonds (distance) C4'-P energy: -5.102
bonds (distance) P-C4' energy: -4.243
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -2.849
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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -33.393260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.393260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.393260 (E_RNA)
where:
Base-Base interactions energy: -9.265
where: short stacking energy: -8.828
Base-Backbone interact. energy: 0.197
local terms energy: -24.324760
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -34.603819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.603819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.603819 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -11.523
Base-Backbone interact. energy: -0.071
local terms energy: -22.269474
where:
bonds (distance) C4'-P energy: -4.581
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -59.339283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.339283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.339283 (E_RNA)
where:
Base-Base interactions energy: -27.708
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.000
local terms energy: -31.631329
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -4.924
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: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -50.255651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.255651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.255651 (E_RNA)
where:
Base-Base interactions energy: -22.573
where: short stacking energy: -20.062
Base-Backbone interact. energy: -0.000
local terms energy: -27.682737
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -49.831959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.831959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.831959 (E_RNA)
where:
Base-Base interactions energy: -19.309
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.000
local terms energy: -30.522619
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.033
flat angles P-C4'-P energy: -4.504
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -48.165692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.165692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.165692 (E_RNA)
where:
Base-Base interactions energy: -21.165
where: short stacking energy: -21.165
Base-Backbone interact. energy: -0.001
local terms energy: -26.999612
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.319
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -4.230
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -36.623713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.623713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.623713 (E_RNA)
where:
Base-Base interactions energy: -11.880
where: short stacking energy: -11.880
Base-Backbone interact. energy: -0.025
local terms energy: -24.719243
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -5.395
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -42.762458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.762458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.762458 (E_RNA)
where:
Base-Base interactions energy: -20.739
where: short stacking energy: -16.361
Base-Backbone interact. energy: -0.000
local terms energy: -22.023309
where:
bonds (distance) C4'-P energy: -2.610
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -2.968
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -47.701525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.701525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.701525 (E_RNA)
where:
Base-Base interactions energy: -21.492
where: short stacking energy: -18.312
Base-Backbone interact. energy: -0.000
local terms energy: -26.208970
where:
bonds (distance) C4'-P energy: -2.502
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -39.292732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.292732 (E_RNA)
where:
Base-Base interactions energy: -15.536
where: short stacking energy: -15.536
Base-Backbone interact. energy: -0.007
local terms energy: -23.748935
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -2.057
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -36.314825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.314825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.314825 (E_RNA)
where:
Base-Base interactions energy: -12.445
where: short stacking energy: -12.445
Base-Backbone interact. energy: -0.089
local terms energy: -23.781301
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -35.317194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.317194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.317194 (E_RNA)
where:
Base-Base interactions energy: -12.804
where: short stacking energy: -12.804
Base-Backbone interact. energy: -0.002
local terms energy: -22.510809
where:
bonds (distance) C4'-P energy: -4.349
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -0.396
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: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -54.412440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.412440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.412440 (E_RNA)
where:
Base-Base interactions energy: -23.848
where: short stacking energy: -23.848
Base-Backbone interact. energy: -0.000
local terms energy: -30.564064
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -51.965696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.965696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.965696 (E_RNA)
where:
Base-Base interactions energy: -24.784
where: short stacking energy: -24.784
Base-Backbone interact. energy: -0.011
local terms energy: -27.170531
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -4.443
flat angles P-C4'-P energy: -4.385
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: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -48.423516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.423516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.423516 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.000
local terms energy: -26.261748
where:
bonds (distance) C4'-P energy: -5.023
bonds (distance) P-C4' energy: -6.008
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -47.448357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.448357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.448357 (E_RNA)
where:
Base-Base interactions energy: -19.149
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.003
local terms energy: -28.296139
where:
bonds (distance) C4'-P energy: -5.124
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.642
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -40.204827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.204827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.204827 (E_RNA)
where:
Base-Base interactions energy: -16.166
where: short stacking energy: -13.911
Base-Backbone interact. energy: -0.093
local terms energy: -23.946109
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -3.259
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -39.037347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.037347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.037347 (E_RNA)
where:
Base-Base interactions energy: -16.516
where: short stacking energy: -15.162
Base-Backbone interact. energy: -0.034
local terms energy: -22.487334
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -36.365750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.365750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.365750 (E_RNA)
where:
Base-Base interactions energy: -12.807
where: short stacking energy: -12.633
Base-Backbone interact. energy: -0.100
local terms energy: -23.459616
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -35.077067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.077067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.077067 (E_RNA)
where:
Base-Base interactions energy: -9.962
where: short stacking energy: -9.962
Base-Backbone interact. energy: -0.006
local terms energy: -25.109605
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -7.552
flat angles P-C4'-P energy: -1.430
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: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -33.734961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.734961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.734961 (E_RNA)
where:
Base-Base interactions energy: -12.122
where: short stacking energy: -12.122
Base-Backbone interact. energy: -0.098
local terms energy: -21.515473
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -2.312
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -34.382437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.382437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.382437 (E_RNA)
where:
Base-Base interactions energy: -15.808
where: short stacking energy: -15.808
Base-Backbone interact. energy: -0.073
local terms energy: -18.501509
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: 0.282
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -2.315
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: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -55.429750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.429750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.429750 (E_RNA)
where:
Base-Base interactions energy: -22.711
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.000
local terms energy: -32.718811
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -7.738
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: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -46.927874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.927874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.927874 (E_RNA)
where:
Base-Base interactions energy: -20.791
where: short stacking energy: -20.791
Base-Backbone interact. energy: -0.000
local terms energy: -26.136378
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.381
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -44.585030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.585030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.585030 (E_RNA)
where:
Base-Base interactions energy: -18.212
where: short stacking energy: -18.212
Base-Backbone interact. energy: -0.000
local terms energy: -26.372201
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -5.811
flat angles C4'-P-C4' energy: -6.522
flat angles P-C4'-P energy: -5.989
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: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -44.433444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.433444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.433444 (E_RNA)
where:
Base-Base interactions energy: -18.422
where: short stacking energy: -18.210
Base-Backbone interact. energy: -0.016
local terms energy: -25.994914
where:
bonds (distance) C4'-P energy: -6.580
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -4.394
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -39.721188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.721188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.721188 (E_RNA)
where:
Base-Base interactions energy: -18.994
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.006
local terms energy: -20.720862
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -2.857
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: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -48.775765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.775765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.775765 (E_RNA)
where:
Base-Base interactions energy: -23.116
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.006
local terms energy: -25.654445
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.268
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -1.123
tors. eta vs tors. theta energy: -5.216
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: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -33.719242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.719242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.719242 (E_RNA)
where:
Base-Base interactions energy: -10.888
where: short stacking energy: -10.888
Base-Backbone interact. energy: -0.264
local terms energy: -22.567518
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -4.009
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -44.432394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.432394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.432394 (E_RNA)
where:
Base-Base interactions energy: -14.499
where: short stacking energy: -13.359
Base-Backbone interact. energy: -0.000
local terms energy: -29.933320
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -5.279
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -33.801932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.801932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.801932 (E_RNA)
where:
Base-Base interactions energy: -9.789
where: short stacking energy: -7.769
Base-Backbone interact. energy: -0.001
local terms energy: -24.011285
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -40.156167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.156167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.156167 (E_RNA)
where:
Base-Base interactions energy: -15.614
where: short stacking energy: -15.714
Base-Backbone interact. energy: -0.001
local terms energy: -24.541503
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: 0.390
tors. eta vs tors. theta energy: -8.074
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: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -53.578720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.578720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.578720 (E_RNA)
where:
Base-Base interactions energy: -23.048
where: short stacking energy: -23.048
Base-Backbone interact. energy: -0.000
local terms energy: -30.530756
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -59.472271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.472271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.472271 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.000
local terms energy: -28.722968
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -47.163614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.163614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.163614 (E_RNA)
where:
Base-Base interactions energy: -20.670
where: short stacking energy: -19.652
Base-Backbone interact. energy: -0.000
local terms energy: -26.493277
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.736
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -51.934365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.934365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.934365 (E_RNA)
where:
Base-Base interactions energy: -22.731
where: short stacking energy: -22.731
Base-Backbone interact. energy: -0.000
local terms energy: -29.203535
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -2.693
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -38.394983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.394983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.394983 (E_RNA)
where:
Base-Base interactions energy: -12.593
where: short stacking energy: -12.593
Base-Backbone interact. energy: -0.059
local terms energy: -25.743398
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -35.130705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.130705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.130705 (E_RNA)
where:
Base-Base interactions energy: -17.106
where: short stacking energy: -17.106
Base-Backbone interact. energy: -0.001
local terms energy: -18.023402
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -3.436
flat angles C4'-P-C4' energy: -7.136
flat angles P-C4'-P energy: -1.149
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -38.525718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.525718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.525718 (E_RNA)
where:
Base-Base interactions energy: -11.712
where: short stacking energy: -11.712
Base-Backbone interact. energy: -0.059
local terms energy: -26.754431
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -4.171
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: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -38.000040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.000040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.000040 (E_RNA)
where:
Base-Base interactions energy: -16.737
where: short stacking energy: -12.873
Base-Backbone interact. energy: -0.144
local terms energy: -21.119083
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -33.917592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.917592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.917592 (E_RNA)
where:
Base-Base interactions energy: -13.147
where: short stacking energy: -13.147
Base-Backbone interact. energy: -0.300
local terms energy: -20.470319
where:
bonds (distance) C4'-P energy: -2.850
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -3.286
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: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -36.758383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.758383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.758383 (E_RNA)
where:
Base-Base interactions energy: -16.671
where: short stacking energy: -16.338
Base-Backbone interact. energy: 0.933
local terms energy: -21.019986
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -4.153
flat angles C4'-P-C4' energy: -4.536
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -56.745795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.745795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.745795 (E_RNA)
where:
Base-Base interactions energy: -22.834
where: short stacking energy: -22.834
Base-Backbone interact. energy: -0.000
local terms energy: -33.911342
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -46.459784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.459784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.459784 (E_RNA)
where:
Base-Base interactions energy: -21.299
where: short stacking energy: -21.299
Base-Backbone interact. energy: -0.003
local terms energy: -25.157987
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -3.406
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: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -50.726259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.726259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.726259 (E_RNA)
where:
Base-Base interactions energy: -20.534
where: short stacking energy: -20.534
Base-Backbone interact. energy: -0.000
local terms energy: -30.191983
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -7.425
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -47.943538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.943538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.943538 (E_RNA)
where:
Base-Base interactions energy: -20.295
where: short stacking energy: -19.357
Base-Backbone interact. energy: -0.000
local terms energy: -27.648492
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -5.159
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: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -43.404828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.404828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.404828 (E_RNA)
where:
Base-Base interactions energy: -19.007
where: short stacking energy: -19.007
Base-Backbone interact. energy: -0.002
local terms energy: -24.395610
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -3.495
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -4.401
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: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -36.496276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.496276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.496276 (E_RNA)
where:
Base-Base interactions energy: -15.244
where: short stacking energy: -15.244
Base-Backbone interact. energy: -0.002
local terms energy: -21.250429
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -1.676
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: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -34.154715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.154715 (E_RNA)
where:
Base-Base interactions energy: -12.408
where: short stacking energy: -12.408
Base-Backbone interact. energy: -0.005
local terms energy: -21.741359
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -1.489
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -31.749555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.749555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.749555 (E_RNA)
where:
Base-Base interactions energy: -8.063
where: short stacking energy: -7.974
Base-Backbone interact. energy: -0.072
local terms energy: -23.615442
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -4.167
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -35.045401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.045401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.045401 (E_RNA)
where:
Base-Base interactions energy: -14.440
where: short stacking energy: -14.440
Base-Backbone interact. energy: -0.098
local terms energy: -20.507298
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.378
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -32.749587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.749587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.749587 (E_RNA)
where:
Base-Base interactions energy: -9.560
where: short stacking energy: -9.560
Base-Backbone interact. energy: -0.002
local terms energy: -23.187210
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -52.980616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.980616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.980616 (E_RNA)
where:
Base-Base interactions energy: -24.264
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.000
local terms energy: -28.716955
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -50.256311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.256311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.256311 (E_RNA)
where:
Base-Base interactions energy: -22.201
where: short stacking energy: -22.201
Base-Backbone interact. energy: -0.052
local terms energy: -28.003595
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -3.197
flat angles P-C4'-P energy: -4.973
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -39.492175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.492175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.492175 (E_RNA)
where:
Base-Base interactions energy: -12.835
where: short stacking energy: -12.835
Base-Backbone interact. energy: -0.437
local terms energy: -26.220536
where:
bonds (distance) C4'-P energy: -6.709
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -6.370
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: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -45.901180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.901180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.901180 (E_RNA)
where:
Base-Base interactions energy: -19.559
where: short stacking energy: -19.559
Base-Backbone interact. energy: -0.005
local terms energy: -26.337526
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -44.477324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.477324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.477324 (E_RNA)
where:
Base-Base interactions energy: -21.909
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.001
local terms energy: -22.567687
where:
bonds (distance) C4'-P energy: -5.483
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -1.772
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: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -38.856201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.856201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.856201 (E_RNA)
where:
Base-Base interactions energy: -14.878
where: short stacking energy: -14.878
Base-Backbone interact. energy: -0.062
local terms energy: -23.916623
where:
bonds (distance) C4'-P energy: -4.361
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -39.077415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.077415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.077415 (E_RNA)
where:
Base-Base interactions energy: -15.911
where: short stacking energy: -15.911
Base-Backbone interact. energy: -0.001
local terms energy: -23.164656
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -3.058
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -52.098331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.098331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.098331 (E_RNA)
where:
Base-Base interactions energy: -25.926
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.000
local terms energy: -26.171821
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -4.386
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -35.706652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.706652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.706652 (E_RNA)
where:
Base-Base interactions energy: -13.793
where: short stacking energy: -12.905
Base-Backbone interact. energy: -0.097
local terms energy: -21.815947
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -32.466958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.466958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.466958 (E_RNA)
where:
Base-Base interactions energy: -7.499
where: short stacking energy: -6.995
Base-Backbone interact. energy: -0.092
local terms energy: -24.876256
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -5.519
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -56.477836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.477836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.477836 (E_RNA)
where:
Base-Base interactions energy: -25.021
where: short stacking energy: -25.021
Base-Backbone interact. energy: -0.000
local terms energy: -31.456966
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -42.172313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.172313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.172313 (E_RNA)
where:
Base-Base interactions energy: -18.042
where: short stacking energy: -18.042
Base-Backbone interact. energy: -0.002
local terms energy: -24.128382
where:
bonds (distance) C4'-P energy: -5.251
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.938
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -49.996148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.996148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.996148 (E_RNA)
where:
Base-Base interactions energy: -20.861
where: short stacking energy: -20.861
Base-Backbone interact. energy: -0.000
local terms energy: -29.135245
where:
bonds (distance) C4'-P energy: -5.727
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -45.397827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.397827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.397827 (E_RNA)
where:
Base-Base interactions energy: -14.474
where: short stacking energy: -14.474
Base-Backbone interact. energy: -0.001
local terms energy: -30.922371
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -37.309829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.309829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.309829 (E_RNA)
where:
Base-Base interactions energy: -16.969
where: short stacking energy: -16.969
Base-Backbone interact. energy: -0.039
local terms energy: -20.302502
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -42.437709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.437709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.437709 (E_RNA)
where:
Base-Base interactions energy: -16.657
where: short stacking energy: -15.076
Base-Backbone interact. energy: -0.002
local terms energy: -25.778668
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -5.618
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -3.056
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -35.476372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.476372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.476372 (E_RNA)
where:
Base-Base interactions energy: -13.276
where: short stacking energy: -11.394
Base-Backbone interact. energy: -0.243
local terms energy: -21.957565
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -0.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -35.342840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.342840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.342840 (E_RNA)
where:
Base-Base interactions energy: -14.914
where: short stacking energy: -11.013
Base-Backbone interact. energy: -0.013
local terms energy: -20.416029
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -4.265
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -2.017
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -34.052667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.052667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.052667 (E_RNA)
where:
Base-Base interactions energy: -8.444
where: short stacking energy: -7.414
Base-Backbone interact. energy: -0.343
local terms energy: -25.265775
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -3.827
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -34.843603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.843603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.843603 (E_RNA)
where:
Base-Base interactions energy: -8.892
where: short stacking energy: -8.892
Base-Backbone interact. energy: -0.001
local terms energy: -25.950230
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -3.774
flat angles P-C4'-P energy: -5.655
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -53.003896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.003896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.003896 (E_RNA)
where:
Base-Base interactions energy: -24.071
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.000
local terms energy: -28.932826
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -43.294062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.294062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.294062 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -16.177
Base-Backbone interact. energy: -0.058
local terms energy: -26.075238
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -51.748426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.748426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.748426 (E_RNA)
where:
Base-Base interactions energy: -23.825
where: short stacking energy: -23.825
Base-Backbone interact. energy: -0.000
local terms energy: -27.923385
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -5.750
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -37.378336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.378336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.378336 (E_RNA)
where:
Base-Base interactions energy: -12.072
where: short stacking energy: -11.699
Base-Backbone interact. energy: -0.016
local terms energy: -25.290228
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -1.850
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -42.013797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.013797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.013797 (E_RNA)
where:
Base-Base interactions energy: -20.389
where: short stacking energy: -19.810
Base-Backbone interact. energy: -0.000
local terms energy: -21.624297
where:
bonds (distance) C4'-P energy: -4.358
bonds (distance) P-C4' energy: -4.765
flat angles C4'-P-C4' energy: -5.482
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: -4.864
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -39.819900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.819900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.819900 (E_RNA)
where:
Base-Base interactions energy: -18.192
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.000
local terms energy: -21.627671
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -4.952
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -3.997
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: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -44.262920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.262920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.262920 (E_RNA)
where:
Base-Base interactions energy: -16.391
where: short stacking energy: -16.391
Base-Backbone interact. energy: -0.000
local terms energy: -27.872182
where:
bonds (distance) C4'-P energy: -4.652
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -37.330997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.330997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.330997 (E_RNA)
where:
Base-Base interactions energy: -18.055
where: short stacking energy: -14.632
Base-Backbone interact. energy: -0.023
local terms energy: -19.253458
where:
bonds (distance) C4'-P energy: -4.651
bonds (distance) P-C4' energy: -5.768
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -32.819320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.819320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.819320 (E_RNA)
where:
Base-Base interactions energy: -11.108
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.181
local terms energy: -21.531009
where:
bonds (distance) C4'-P energy: -5.178
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -0.294
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: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -33.862386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.862386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.862386 (E_RNA)
where:
Base-Base interactions energy: -12.875
where: short stacking energy: -12.875
Base-Backbone interact. energy: -0.000
local terms energy: -20.987163
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -1.131
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -51.354299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.354299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.354299 (E_RNA)
where:
Base-Base interactions energy: -19.727
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.000
local terms energy: -31.627737
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -5.844
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: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -41.563756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.563756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.563756 (E_RNA)
where:
Base-Base interactions energy: -19.455
where: short stacking energy: -19.455
Base-Backbone interact. energy: -0.030
local terms energy: -22.078994
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -4.544
flat angles C4'-P-C4' energy: -6.368
flat angles P-C4'-P energy: -3.265
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -55.423878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.423878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.423878 (E_RNA)
where:
Base-Base interactions energy: -23.642
where: short stacking energy: -23.642
Base-Backbone interact. energy: -0.000
local terms energy: -31.781876
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -51.451792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.451792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.451792 (E_RNA)
where:
Base-Base interactions energy: -21.177
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.000
local terms energy: -30.274574
where:
bonds (distance) C4'-P energy: -2.609
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -41.799455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.799455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.799455 (E_RNA)
where:
Base-Base interactions energy: -14.788
where: short stacking energy: -14.788
Base-Backbone interact. energy: -0.078
local terms energy: -26.933110
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -45.756790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.756790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.756790 (E_RNA)
where:
Base-Base interactions energy: -15.012
where: short stacking energy: -15.012
Base-Backbone interact. energy: -0.071
local terms energy: -30.673766
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -34.333050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.333050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.333050 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -11.102
Base-Backbone interact. energy: -0.017
local terms energy: -23.026346
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.610
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -38.522786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.522786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.522786 (E_RNA)
where:
Base-Base interactions energy: -13.394
where: short stacking energy: -13.394
Base-Backbone interact. energy: -0.006
local terms energy: -25.122695
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -6.211
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -46.274309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.274309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.274309 (E_RNA)
where:
Base-Base interactions energy: -19.743
where: short stacking energy: -18.924
Base-Backbone interact. energy: -0.000
local terms energy: -26.531306
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -4.787
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -36.552746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.552746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.552746 (E_RNA)
where:
Base-Base interactions energy: -13.201
where: short stacking energy: -13.201
Base-Backbone interact. energy: -0.000
local terms energy: -23.351917
where:
bonds (distance) C4'-P energy: -3.294
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -3.079
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: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -55.521350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.521350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.521350 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.000
local terms energy: -34.028803
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -57.164486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.164486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.164486 (E_RNA)
where:
Base-Base interactions energy: -24.870
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.000
local terms energy: -32.294348
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -50.186352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.186352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.186352 (E_RNA)
where:
Base-Base interactions energy: -21.964
where: short stacking energy: -21.964
Base-Backbone interact. energy: -0.024
local terms energy: -28.198861
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -4.175
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -44.237625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.237625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.237625 (E_RNA)
where:
Base-Base interactions energy: -18.504
where: short stacking energy: -17.752
Base-Backbone interact. energy: -0.017
local terms energy: -25.716087
where:
bonds (distance) C4'-P energy: -4.192
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -48.440032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.440032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.440032 (E_RNA)
where:
Base-Base interactions energy: -20.855
where: short stacking energy: -20.855
Base-Backbone interact. energy: -0.000
local terms energy: -27.584765
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -45.206510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.206510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.206510 (E_RNA)
where:
Base-Base interactions energy: -18.925
where: short stacking energy: -18.925
Base-Backbone interact. energy: -0.006
local terms energy: -26.275427
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -4.504
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -35.814956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.814956 (E_RNA)
where:
Base-Base interactions energy: -12.062
where: short stacking energy: -12.062
Base-Backbone interact. energy: 0.129
local terms energy: -23.882828
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -36.350737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.350737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.350737 (E_RNA)
where:
Base-Base interactions energy: -14.725
where: short stacking energy: -9.033
Base-Backbone interact. energy: -0.060
local terms energy: -21.565543
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -34.518955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.518955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.518955 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -11.290
Base-Backbone interact. energy: -0.130
local terms energy: -23.098726
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -5.731
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -4.601
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: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -31.999626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.999626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.999626 (E_RNA)
where:
Base-Base interactions energy: -9.114
where: short stacking energy: -8.701
Base-Backbone interact. energy: -0.108
local terms energy: -22.777318
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -55.110472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.110472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.110472 (E_RNA)
where:
Base-Base interactions energy: -23.329
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.009
local terms energy: -31.772056
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -62.529416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.529416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.529416 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.000
local terms energy: -34.739264
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -5.779
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: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -55.746515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.746515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.746515 (E_RNA)
where:
Base-Base interactions energy: -25.806
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.000
local terms energy: -29.940320
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.681
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -36.366021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.366021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.366021 (E_RNA)
where:
Base-Base interactions energy: -16.911
where: short stacking energy: -16.911
Base-Backbone interact. energy: -0.099
local terms energy: -19.356053
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.437
flat angles P-C4'-P energy: -1.250
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: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -44.349700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.349700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.349700 (E_RNA)
where:
Base-Base interactions energy: -13.883
where: short stacking energy: -13.388
Base-Backbone interact. energy: -0.000
local terms energy: -30.466937
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -4.246
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: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -43.472602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.472602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.472602 (E_RNA)
where:
Base-Base interactions energy: -16.180
where: short stacking energy: -15.542
Base-Backbone interact. energy: -0.162
local terms energy: -27.130547
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -7.520
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -43.592246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.592246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.592246 (E_RNA)
where:
Base-Base interactions energy: -17.974
where: short stacking energy: -17.974
Base-Backbone interact. energy: -0.010
local terms energy: -25.608209
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -36.044608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.044608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.044608 (E_RNA)
where:
Base-Base interactions energy: -12.507
where: short stacking energy: -12.042
Base-Backbone interact. energy: -0.004
local terms energy: -23.533762
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -5.651
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -34.599287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.599287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.599287 (E_RNA)
where:
Base-Base interactions energy: -12.315
where: short stacking energy: -11.160
Base-Backbone interact. energy: -0.012
local terms energy: -22.272843
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -4.501
flat angles C4'-P-C4' energy: -6.986
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -0.918
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: 27
Temperature: 1.350000
Total energy: -29.543167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.543167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.543167 (E_RNA)
where:
Base-Base interactions energy: -7.076
where: short stacking energy: -7.076
Base-Backbone interact. energy: -0.001
local terms energy: -22.466187
where:
bonds (distance) C4'-P energy: -4.714
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -49.793583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.793583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.793583 (E_RNA)
where:
Base-Base interactions energy: -21.419
where: short stacking energy: -21.419
Base-Backbone interact. energy: -0.065
local terms energy: -28.308877
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -5.983
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -4.978
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: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -46.795976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.795976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.795976 (E_RNA)
where:
Base-Base interactions energy: -17.090
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.797
local terms energy: -28.908931
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -44.868057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.868057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.868057 (E_RNA)
where:
Base-Base interactions energy: -21.670
where: short stacking energy: -21.670
Base-Backbone interact. energy: -0.017
local terms energy: -23.180736
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -5.120
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -43.877643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.877643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.877643 (E_RNA)
where:
Base-Base interactions energy: -19.261
where: short stacking energy: -15.613
Base-Backbone interact. energy: 0.412
local terms energy: -25.029109
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -41.462204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.462204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.462204 (E_RNA)
where:
Base-Base interactions energy: -15.953
where: short stacking energy: -14.979
Base-Backbone interact. energy: 0.345
local terms energy: -25.854078
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -1.348
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -41.509738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.509738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.509738 (E_RNA)
where:
Base-Base interactions energy: -14.866
where: short stacking energy: -14.866
Base-Backbone interact. energy: -0.041
local terms energy: -26.602813
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.456
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -38.489806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.489806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.489806 (E_RNA)
where:
Base-Base interactions energy: -12.184
where: short stacking energy: -11.048
Base-Backbone interact. energy: -0.001
local terms energy: -26.305056
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -42.268969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.268969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.268969 (E_RNA)
where:
Base-Base interactions energy: -19.604
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.000
local terms energy: -22.664966
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -3.302
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -37.490590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.490590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.490590 (E_RNA)
where:
Base-Base interactions energy: -13.284
where: short stacking energy: -13.284
Base-Backbone interact. energy: -0.074
local terms energy: -24.132378
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -2.207
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -32.984480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.984480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.984480 (E_RNA)
where:
Base-Base interactions energy: -11.088
where: short stacking energy: -11.088
Base-Backbone interact. energy: -0.007
local terms energy: -21.889547
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.633
flat angles P-C4'-P energy: -2.176
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: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -58.370067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.370067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.370067 (E_RNA)
where:
Base-Base interactions energy: -27.201
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.000
local terms energy: -31.169009
where:
bonds (distance) C4'-P energy: -5.786
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -4.360
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -52.603717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.603717 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -22.531
Base-Backbone interact. energy: -0.000
local terms energy: -30.072767
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -42.800379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.800379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.800379 (E_RNA)
where:
Base-Base interactions energy: -19.268
where: short stacking energy: -17.755
Base-Backbone interact. energy: -0.002
local terms energy: -23.529926
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -2.792
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: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -39.709683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.709683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.709683 (E_RNA)
where:
Base-Base interactions energy: -15.073
where: short stacking energy: -13.205
Base-Backbone interact. energy: -0.262
local terms energy: -24.375009
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -45.644829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.644829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.644829 (E_RNA)
where:
Base-Base interactions energy: -19.057
where: short stacking energy: -19.057
Base-Backbone interact. energy: 0.024
local terms energy: -26.612016
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -4.870
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: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -36.281234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.281234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.281234 (E_RNA)
where:
Base-Base interactions energy: -9.852
where: short stacking energy: -9.852
Base-Backbone interact. energy: -0.003
local terms energy: -26.426933
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -44.123879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.123879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.123879 (E_RNA)
where:
Base-Base interactions energy: -17.537
where: short stacking energy: -17.537
Base-Backbone interact. energy: -0.035
local terms energy: -26.552346
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -38.103440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.103440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.103440 (E_RNA)
where:
Base-Base interactions energy: -12.423
where: short stacking energy: -10.921
Base-Backbone interact. energy: -0.004
local terms energy: -25.675585
where:
bonds (distance) C4'-P energy: -5.480
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.877
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -1.540
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -33.642077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.642077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.642077 (E_RNA)
where:
Base-Base interactions energy: -7.811
where: short stacking energy: -7.356
Base-Backbone interact. energy: -1.045
local terms energy: -24.785480
where:
bonds (distance) C4'-P energy: -6.291
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -7.250
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -34.891918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.891918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.891918 (E_RNA)
where:
Base-Base interactions energy: -10.403
where: short stacking energy: -10.403
Base-Backbone interact. energy: -0.000
local terms energy: -24.489415
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -57.841893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.841893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.841893 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -26.309
Base-Backbone interact. energy: -0.000
local terms energy: -31.533054
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -8.972
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: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -55.173012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.173012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.173012 (E_RNA)
where:
Base-Base interactions energy: -23.320
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.000
local terms energy: -31.853386
where:
bonds (distance) C4'-P energy: -4.625
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -7.150
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -54.897236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.897236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.897236 (E_RNA)
where:
Base-Base interactions energy: -24.902
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.000
local terms energy: -29.995355
where:
bonds (distance) C4'-P energy: -5.139
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.024
flat angles P-C4'-P energy: -3.619
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: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -40.069436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.069436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.069436 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.038
local terms energy: -24.137668
where:
bonds (distance) C4'-P energy: -6.696
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.503
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -41.809483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.809483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.809483 (E_RNA)
where:
Base-Base interactions energy: -16.749
where: short stacking energy: -16.749
Base-Backbone interact. energy: -0.002
local terms energy: -25.057893
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -43.686899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.686899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.686899 (E_RNA)
where:
Base-Base interactions energy: -21.812
where: short stacking energy: -21.812
Base-Backbone interact. energy: -0.001
local terms energy: -21.873914
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -2.040
flat angles C4'-P-C4' energy: -3.436
flat angles P-C4'-P energy: -4.066
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: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -35.840951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.840951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.840951 (E_RNA)
where:
Base-Base interactions energy: -15.341
where: short stacking energy: -15.341
Base-Backbone interact. energy: -0.149
local terms energy: -20.350521
where:
bonds (distance) C4'-P energy: -4.809
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -37.605632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.605632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.605632 (E_RNA)
where:
Base-Base interactions energy: -14.942
where: short stacking energy: -14.942
Base-Backbone interact. energy: -0.005
local terms energy: -22.658631
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -3.683
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: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -38.150485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.150485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.150485 (E_RNA)
where:
Base-Base interactions energy: -15.250
where: short stacking energy: -15.250
Base-Backbone interact. energy: -0.020
local terms energy: -22.880724
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -30.321232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.321232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.321232 (E_RNA)
where:
Base-Base interactions energy: -9.813
where: short stacking energy: -9.579
Base-Backbone interact. energy: -0.014
local terms energy: -20.494565
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.681
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: 0.993
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: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -57.725223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.725223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.725223 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.008
local terms energy: -30.006612
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: -5.612
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -44.100704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.100704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.100704 (E_RNA)
where:
Base-Base interactions energy: -19.813
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.070
local terms energy: -24.217082
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.172
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -50.211531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.211531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.211531 (E_RNA)
where:
Base-Base interactions energy: -20.135
where: short stacking energy: -20.135
Base-Backbone interact. energy: -0.000
local terms energy: -30.076609
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.490
flat angles P-C4'-P energy: -5.106
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: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -43.198150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.198150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.198150 (E_RNA)
where:
Base-Base interactions energy: -15.741
where: short stacking energy: -15.741
Base-Backbone interact. energy: -0.039
local terms energy: -27.418089
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -46.679827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.679827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.679827 (E_RNA)
where:
Base-Base interactions energy: -19.535
where: short stacking energy: -19.535
Base-Backbone interact. energy: -0.000
local terms energy: -27.144655
where:
bonds (distance) C4'-P energy: -5.335
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -3.132
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -35.561354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.561354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.561354 (E_RNA)
where:
Base-Base interactions energy: -13.285
where: short stacking energy: -13.285
Base-Backbone interact. energy: -0.006
local terms energy: -22.270675
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -4.802
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -2.571
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -37.501017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.501017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.501017 (E_RNA)
where:
Base-Base interactions energy: -14.473
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.001
local terms energy: -23.027241
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -6.998
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -1.837
tors. eta vs tors. theta energy: -4.889
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: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -41.754736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.754736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.754736 (E_RNA)
where:
Base-Base interactions energy: -15.152
where: short stacking energy: -15.152
Base-Backbone interact. energy: -0.024
local terms energy: -26.579324
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -31.685580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.685580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.685580 (E_RNA)
where:
Base-Base interactions energy: -6.947
where: short stacking energy: -6.947
Base-Backbone interact. energy: -0.000
local terms energy: -24.738635
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -1.706
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: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -33.754531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.754531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.754531 (E_RNA)
where:
Base-Base interactions energy: -10.548
where: short stacking energy: -9.923
Base-Backbone interact. energy: -0.424
local terms energy: -22.782976
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -50.873547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.873547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.873547 (E_RNA)
where:
Base-Base interactions energy: -25.524
where: short stacking energy: -17.086
Base-Backbone interact. energy: 0.346
local terms energy: -25.695170
where:
bonds (distance) C4'-P energy: -4.589
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -38.066457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.066457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.066457 (E_RNA)
where:
Base-Base interactions energy: -14.959
where: short stacking energy: -14.699
Base-Backbone interact. energy: -0.018
local terms energy: -23.089452
where:
bonds (distance) C4'-P energy: -5.894
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.024
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -53.217213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.217213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.217213 (E_RNA)
where:
Base-Base interactions energy: -23.650
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.051
local terms energy: -29.516728
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.149
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -43.722128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.722128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.722128 (E_RNA)
where:
Base-Base interactions energy: -16.972
where: short stacking energy: -16.972
Base-Backbone interact. energy: -0.000
local terms energy: -26.750059
where:
bonds (distance) C4'-P energy: -2.477
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.387
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -50.539963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.539963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.539963 (E_RNA)
where:
Base-Base interactions energy: -25.026
where: short stacking energy: -25.026
Base-Backbone interact. energy: -0.001
local terms energy: -25.513425
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.036
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -43.928488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.928488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.928488 (E_RNA)
where:
Base-Base interactions energy: -18.321
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.001
local terms energy: -25.606723
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -36.505651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.505651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.505651 (E_RNA)
where:
Base-Base interactions energy: -11.846
where: short stacking energy: -10.695
Base-Backbone interact. energy: 0.053
local terms energy: -24.712559
where:
bonds (distance) C4'-P energy: -4.987
bonds (distance) P-C4' energy: -5.811
flat angles C4'-P-C4' energy: -7.522
flat angles P-C4'-P energy: -3.153
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -38.571671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.571671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.571671 (E_RNA)
where:
Base-Base interactions energy: -17.889
where: short stacking energy: -17.889
Base-Backbone interact. energy: -0.010
local terms energy: -20.673031
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -1.524
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -37.606471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.606471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.606471 (E_RNA)
where:
Base-Base interactions energy: -16.222
where: short stacking energy: -16.222
Base-Backbone interact. energy: -0.044
local terms energy: -21.341227
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -5.497
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -38.300221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.300221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.300221 (E_RNA)
where:
Base-Base interactions energy: -17.122
where: short stacking energy: -17.122
Base-Backbone interact. energy: -0.012
local terms energy: -21.165941
where:
bonds (distance) C4'-P energy: -2.088
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -4.745
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -5.547
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: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -41.697225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.697225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.697225 (E_RNA)
where:
Base-Base interactions energy: -12.662
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.196
local terms energy: -28.839046
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -45.991366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.991366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.991366 (E_RNA)
where:
Base-Base interactions energy: -23.115
where: short stacking energy: -15.116
Base-Backbone interact. energy: -1.325
local terms energy: -21.551224
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -56.609582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.609582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.609582 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.000
local terms energy: -28.847153
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -3.576
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -48.731750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.731750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.731750 (E_RNA)
where:
Base-Base interactions energy: -23.127
where: short stacking energy: -23.127
Base-Backbone interact. energy: -0.001
local terms energy: -25.603091
where:
bonds (distance) C4'-P energy: -5.604
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -4.390
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -44.936225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.936225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.936225 (E_RNA)
where:
Base-Base interactions energy: -20.821
where: short stacking energy: -20.069
Base-Backbone interact. energy: -0.000
local terms energy: -24.114866
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -3.402
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -43.099473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.099473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.099473 (E_RNA)
where:
Base-Base interactions energy: -18.226
where: short stacking energy: -18.226
Base-Backbone interact. energy: -0.005
local terms energy: -24.868985
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -36.018174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.018174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.018174 (E_RNA)
where:
Base-Base interactions energy: -13.291
where: short stacking energy: -11.643
Base-Backbone interact. energy: -0.053
local terms energy: -22.674125
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -3.855
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -36.143984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.143984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.143984 (E_RNA)
where:
Base-Base interactions energy: -15.635
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.011
local terms energy: -20.497929
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -4.934
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -40.898284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.898284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.898284 (E_RNA)
where:
Base-Base interactions energy: -15.984
where: short stacking energy: -15.984
Base-Backbone interact. energy: -0.004
local terms energy: -24.910555
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -39.885174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.885174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.885174 (E_RNA)
where:
Base-Base interactions energy: -19.387
where: short stacking energy: -14.249
Base-Backbone interact. energy: -0.277
local terms energy: -20.220755
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -3.473
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -0.865
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -56.929079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.929079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.929079 (E_RNA)
where:
Base-Base interactions energy: -25.213
where: short stacking energy: -25.213
Base-Backbone interact. energy: -0.000
local terms energy: -31.716282
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -2.388
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -52.118190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.118190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.118190 (E_RNA)
where:
Base-Base interactions energy: -23.896
where: short stacking energy: -21.618
Base-Backbone interact. energy: -0.001
local terms energy: -28.221854
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -45.224786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.224786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.224786 (E_RNA)
where:
Base-Base interactions energy: -17.448
where: short stacking energy: -17.448
Base-Backbone interact. energy: -0.046
local terms energy: -27.730839
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -47.644170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.644170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.644170 (E_RNA)
where:
Base-Base interactions energy: -21.309
where: short stacking energy: -20.064
Base-Backbone interact. energy: -0.089
local terms energy: -26.245587
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -5.191
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -4.918
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -36.290207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.290207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.290207 (E_RNA)
where:
Base-Base interactions energy: -12.852
where: short stacking energy: -10.174
Base-Backbone interact. energy: -0.022
local terms energy: -23.415842
where:
bonds (distance) C4'-P energy: -4.685
bonds (distance) P-C4' energy: -6.843
flat angles C4'-P-C4' energy: -6.611
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -50.202258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.202258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.202258 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -23.637
Base-Backbone interact. energy: -0.001
local terms energy: -24.642788
where:
bonds (distance) C4'-P energy: -3.827
bonds (distance) P-C4' energy: -4.591
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -38.717481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.717481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.717481 (E_RNA)
where:
Base-Base interactions energy: -11.230
where: short stacking energy: -11.230
Base-Backbone interact. energy: -0.000
local terms energy: -27.487772
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -38.493936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.493936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.493936 (E_RNA)
where:
Base-Base interactions energy: -13.470
where: short stacking energy: -9.020
Base-Backbone interact. energy: -0.000
local terms energy: -25.023855
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -1.784
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: 34
Temperature: 1.300000
Total energy: -35.922210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.922210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.922210 (E_RNA)
where:
Base-Base interactions energy: -13.468
where: short stacking energy: -13.468
Base-Backbone interact. energy: -0.100
local terms energy: -22.354589
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.048
flat angles C4'-P-C4' energy: -4.723
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -35.171237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.171237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.171237 (E_RNA)
where:
Base-Base interactions energy: -12.356
where: short stacking energy: -12.356
Base-Backbone interact. energy: -0.001
local terms energy: -22.814365
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -61.395500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.395500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.395500 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.000
local terms energy: -31.218137
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -7.117
flat angles P-C4'-P energy: -3.803
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -58.310430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.310430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.310430 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -27.411
Base-Backbone interact. energy: -0.000
local terms energy: -30.899545
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -7.301
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: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -45.929162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.929162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.929162 (E_RNA)
where:
Base-Base interactions energy: -18.414
where: short stacking energy: -18.093
Base-Backbone interact. energy: -0.144
local terms energy: -27.371910
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -2.485
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: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -39.305603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.305603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.305603 (E_RNA)
where:
Base-Base interactions energy: -12.958
where: short stacking energy: -12.958
Base-Backbone interact. energy: -0.006
local terms energy: -26.341180
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.591
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -34.923426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.923426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.923426 (E_RNA)
where:
Base-Base interactions energy: -14.380
where: short stacking energy: -12.914
Base-Backbone interact. energy: -0.269
local terms energy: -20.274320
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -0.092
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -45.282848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.282848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.282848 (E_RNA)
where:
Base-Base interactions energy: -23.454
where: short stacking energy: -16.400
Base-Backbone interact. energy: -0.004
local terms energy: -21.825325
where:
bonds (distance) C4'-P energy: -4.556
bonds (distance) P-C4' energy: -4.358
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -3.950
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: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -36.505219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.505219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.505219 (E_RNA)
where:
Base-Base interactions energy: -12.373
where: short stacking energy: -12.373
Base-Backbone interact. energy: -0.001
local terms energy: -24.131524
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -2.822
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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -40.401950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.401950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.401950 (E_RNA)
where:
Base-Base interactions energy: -16.439
where: short stacking energy: -15.068
Base-Backbone interact. energy: -0.005
local terms energy: -23.958214
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -4.691
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -31.268998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.268998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.268998 (E_RNA)
where:
Base-Base interactions energy: -13.829
where: short stacking energy: -9.469
Base-Backbone interact. energy: -0.271
local terms energy: -17.168685
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -3.113
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -38.821286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.821286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.821286 (E_RNA)
where:
Base-Base interactions energy: -15.157
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.020
local terms energy: -23.644686
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -50.065148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.065148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.065148 (E_RNA)
where:
Base-Base interactions energy: -19.694
where: short stacking energy: -19.694
Base-Backbone interact. energy: -0.004
local terms energy: -30.367312
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -4.789
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: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -60.667773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.667773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.667773 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.000
local terms energy: -32.002653
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -7.924
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: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -42.641498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.641498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.641498 (E_RNA)
where:
Base-Base interactions energy: -14.503
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.000
local terms energy: -28.137843
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -46.769742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.769742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.769742 (E_RNA)
where:
Base-Base interactions energy: -19.430
where: short stacking energy: -19.430
Base-Backbone interact. energy: -0.018
local terms energy: -27.321009
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -6.146
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -6.087
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -42.464419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.464419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.464419 (E_RNA)
where:
Base-Base interactions energy: -17.302
where: short stacking energy: -16.051
Base-Backbone interact. energy: 0.009
local terms energy: -25.171762
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -4.476
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -41.358262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.358262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.358262 (E_RNA)
where:
Base-Base interactions energy: -17.940
where: short stacking energy: -11.333
Base-Backbone interact. energy: -0.037
local terms energy: -23.381134
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -39.162668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.162668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.162668 (E_RNA)
where:
Base-Base interactions energy: -13.998
where: short stacking energy: -9.171
Base-Backbone interact. energy: -0.160
local terms energy: -25.004460
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -5.901
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -32.829496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.829496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.829496 (E_RNA)
where:
Base-Base interactions energy: -8.113
where: short stacking energy: -8.113
Base-Backbone interact. energy: -0.099
local terms energy: -24.617789
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -31.578838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.578838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.578838 (E_RNA)
where:
Base-Base interactions energy: -10.897
where: short stacking energy: -10.897
Base-Backbone interact. energy: -0.005
local terms energy: -20.676717
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.544
flat angles C4'-P-C4' energy: -5.418
flat angles P-C4'-P energy: -1.396
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -35.328026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.328026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.328026 (E_RNA)
where:
Base-Base interactions energy: -13.238
where: short stacking energy: -13.238
Base-Backbone interact. energy: -0.001
local terms energy: -22.089563
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -3.989
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -3.939
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: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -60.524885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.524885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.524885 (E_RNA)
where:
Base-Base interactions energy: -26.727
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.000
local terms energy: -33.797786
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -51.288612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.288612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.288612 (E_RNA)
where:
Base-Base interactions energy: -22.793
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.000
local terms energy: -28.495684
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -5.525
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -57.052473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.052473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.052473 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -24.671
Base-Backbone interact. energy: -0.000
local terms energy: -32.381132
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.067
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -47.235038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.235038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.235038 (E_RNA)
where:
Base-Base interactions energy: -19.141
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.000
local terms energy: -28.093856
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -42.438763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.438763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.438763 (E_RNA)
where:
Base-Base interactions energy: -20.264
where: short stacking energy: -19.496
Base-Backbone interact. energy: -0.001
local terms energy: -22.173884
where:
bonds (distance) C4'-P energy: -3.774
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -4.489
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -40.810404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.810404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.810404 (E_RNA)
where:
Base-Base interactions energy: -14.512
where: short stacking energy: -13.708
Base-Backbone interact. energy: -0.238
local terms energy: -26.060562
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -3.177
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: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -43.103762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.103762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.103762 (E_RNA)
where:
Base-Base interactions energy: -18.111
where: short stacking energy: -18.111
Base-Backbone interact. energy: -0.001
local terms energy: -24.991348
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -39.479682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.479682 (E_RNA)
where:
Base-Base interactions energy: -12.812
where: short stacking energy: -12.028
Base-Backbone interact. energy: -0.000
local terms energy: -26.666955
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -4.906
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -34.563978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.563978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.563978 (E_RNA)
where:
Base-Base interactions energy: -13.023
where: short stacking energy: -11.373
Base-Backbone interact. energy: -0.094
local terms energy: -21.446243
where:
bonds (distance) C4'-P energy: -2.929
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -41.393530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.393530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.393530 (E_RNA)
where:
Base-Base interactions energy: -14.406
where: short stacking energy: -14.406
Base-Backbone interact. energy: -0.000
local terms energy: -26.987176
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.094
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -57.526007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.526007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.526007 (E_RNA)
where:
Base-Base interactions energy: -26.111
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.000
local terms energy: -31.414668
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -7.325
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -45.980281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.980281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.980281 (E_RNA)
where:
Base-Base interactions energy: -18.521
where: short stacking energy: -17.748
Base-Backbone interact. energy: -0.010
local terms energy: -27.449341
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.857
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -42.303625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.303625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.303625 (E_RNA)
where:
Base-Base interactions energy: -16.674
where: short stacking energy: -16.674
Base-Backbone interact. energy: -0.001
local terms energy: -25.629006
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.589
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -39.549818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.549818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.549818 (E_RNA)
where:
Base-Base interactions energy: -16.306
where: short stacking energy: -16.306
Base-Backbone interact. energy: -0.002
local terms energy: -23.241945
where:
bonds (distance) C4'-P energy: -4.100
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -3.667
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -42.919463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.919463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.919463 (E_RNA)
where:
Base-Base interactions energy: -14.707
where: short stacking energy: -14.707
Base-Backbone interact. energy: -0.006
local terms energy: -28.206541
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -37.540396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.540396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.540396 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.008
local terms energy: -26.083702
where:
bonds (distance) C4'-P energy: -5.881
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -39.533993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.533993 (E_RNA)
where:
Base-Base interactions energy: -16.411
where: short stacking energy: -13.944
Base-Backbone interact. energy: -0.546
local terms energy: -22.576564
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -4.402
flat angles C4'-P-C4' energy: -6.423
flat angles P-C4'-P energy: -2.539
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -37.500932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.500932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.500932 (E_RNA)
where:
Base-Base interactions energy: -14.175
where: short stacking energy: -11.013
Base-Backbone interact. energy: -0.006
local terms energy: -23.320596
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -31.985556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.985556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.985556 (E_RNA)
where:
Base-Base interactions energy: -10.123
where: short stacking energy: -10.123
Base-Backbone interact. energy: -0.003
local terms energy: -21.859430
where:
bonds (distance) C4'-P energy: -1.878
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -31.051356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.051356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.051356 (E_RNA)
where:
Base-Base interactions energy: -5.718
where: short stacking energy: -5.718
Base-Backbone interact. energy: -0.065
local terms energy: -25.267840
where:
bonds (distance) C4'-P energy: -6.291
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.773
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -56.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.746628 (E_RNA)
where:
Base-Base interactions energy: -22.645
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.000
local terms energy: -34.101939
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -46.814452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.814452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.814452 (E_RNA)
where:
Base-Base interactions energy: -23.654
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.000
local terms energy: -23.160855
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -4.669
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -56.412442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.412442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.412442 (E_RNA)
where:
Base-Base interactions energy: -27.238
where: short stacking energy: -27.238
Base-Backbone interact. energy: -0.000
local terms energy: -29.174511
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -4.566
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -48.923439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.923439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.923439 (E_RNA)
where:
Base-Base interactions energy: -23.082
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.001
local terms energy: -25.840884
where:
bonds (distance) C4'-P energy: -3.075
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -3.896
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -44.415883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.415883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.415883 (E_RNA)
where:
Base-Base interactions energy: -18.434
where: short stacking energy: -18.434
Base-Backbone interact. energy: -0.017
local terms energy: -25.964384
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -4.420
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: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -41.110981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.110981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.110981 (E_RNA)
where:
Base-Base interactions energy: -17.534
where: short stacking energy: -17.534
Base-Backbone interact. energy: -0.048
local terms energy: -23.529255
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.898
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -36.880917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.880917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.880917 (E_RNA)
where:
Base-Base interactions energy: -15.565
where: short stacking energy: -15.565
Base-Backbone interact. energy: -0.000
local terms energy: -21.315872
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -35.309105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.309105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.309105 (E_RNA)
where:
Base-Base interactions energy: -11.385
where: short stacking energy: -10.772
Base-Backbone interact. energy: -0.000
local terms energy: -23.923839
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -0.411
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: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -33.709946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.709946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.709946 (E_RNA)
where:
Base-Base interactions energy: -10.710
where: short stacking energy: -10.710
Base-Backbone interact. energy: -0.101
local terms energy: -22.898828
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -3.664
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: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -35.089523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.089523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.089523 (E_RNA)
where:
Base-Base interactions energy: -15.486
where: short stacking energy: -15.486
Base-Backbone interact. energy: -0.001
local terms energy: -19.602320
where:
bonds (distance) C4'-P energy: -4.064
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -2.126
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: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -56.441776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.441776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.441776 (E_RNA)
where:
Base-Base interactions energy: -24.701
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.000
local terms energy: -31.740477
where:
bonds (distance) C4'-P energy: -4.970
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -7.733
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: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -46.915655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.915655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.915655 (E_RNA)
where:
Base-Base interactions energy: -19.815
where: short stacking energy: -16.314
Base-Backbone interact. energy: -0.021
local terms energy: -27.079844
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -3.818
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -3.502
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -47.147534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.147534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.147534 (E_RNA)
where:
Base-Base interactions energy: -19.542
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.001
local terms energy: -27.603954
where:
bonds (distance) C4'-P energy: -5.347
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -5.510
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: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -43.712329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.712329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.712329 (E_RNA)
where:
Base-Base interactions energy: -19.050
where: short stacking energy: -16.298
Base-Backbone interact. energy: -0.082
local terms energy: -24.581086
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -41.723975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.723975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.723975 (E_RNA)
where:
Base-Base interactions energy: -16.278
where: short stacking energy: -16.278
Base-Backbone interact. energy: -0.005
local terms energy: -25.440882
where:
bonds (distance) C4'-P energy: -3.198
bonds (distance) P-C4' energy: -6.575
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -46.882788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.882788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.882788 (E_RNA)
where:
Base-Base interactions energy: -18.003
where: short stacking energy: -17.941
Base-Backbone interact. energy: -0.013
local terms energy: -28.867399
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -35.788069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.788069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.788069 (E_RNA)
where:
Base-Base interactions energy: -12.424
where: short stacking energy: -11.524
Base-Backbone interact. energy: -0.075
local terms energy: -23.288349
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -2.410
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -34.724927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.724927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.724927 (E_RNA)
where:
Base-Base interactions energy: -11.838
where: short stacking energy: -10.509
Base-Backbone interact. energy: -0.052
local terms energy: -22.834979
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -5.640
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -1.375
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: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -37.498720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.498720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.498720 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.001
local terms energy: -22.498338
where:
bonds (distance) C4'-P energy: -4.296
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -1.704
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: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -38.279605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.279605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.279605 (E_RNA)
where:
Base-Base interactions energy: -9.763
where: short stacking energy: -9.763
Base-Backbone interact. energy: -0.018
local terms energy: -28.499055
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -3.477
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: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -55.297475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.297475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.297475 (E_RNA)
where:
Base-Base interactions energy: -23.021
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.000
local terms energy: -32.276851
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -43.081076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.081076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.081076 (E_RNA)
where:
Base-Base interactions energy: -18.047
where: short stacking energy: -18.047
Base-Backbone interact. energy: -0.062
local terms energy: -24.972103
where:
bonds (distance) C4'-P energy: -6.159
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.879
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -46.692624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.692624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.692624 (E_RNA)
where:
Base-Base interactions energy: -20.544
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.000
local terms energy: -26.148797
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -4.588
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: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -42.888951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.888951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.888951 (E_RNA)
where:
Base-Base interactions energy: -13.775
where: short stacking energy: -12.405
Base-Backbone interact. energy: -0.000
local terms energy: -29.113742
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -7.447
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -41.138611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.138611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.138611 (E_RNA)
where:
Base-Base interactions energy: -16.823
where: short stacking energy: -16.823
Base-Backbone interact. energy: -0.000
local terms energy: -24.315518
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -39.124769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.124769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.124769 (E_RNA)
where:
Base-Base interactions energy: -14.038
where: short stacking energy: -12.127
Base-Backbone interact. energy: -0.020
local terms energy: -25.066937
where:
bonds (distance) C4'-P energy: -4.100
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -4.395
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -39.666883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.666883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.666883 (E_RNA)
where:
Base-Base interactions energy: -15.071
where: short stacking energy: -15.071
Base-Backbone interact. energy: -0.000
local terms energy: -24.595664
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -33.565519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.565519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.565519 (E_RNA)
where:
Base-Base interactions energy: -9.573
where: short stacking energy: -8.791
Base-Backbone interact. energy: -0.001
local terms energy: -23.991932
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -36.723322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.723322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.723322 (E_RNA)
where:
Base-Base interactions energy: -7.996
where: short stacking energy: -7.137
Base-Backbone interact. energy: -0.001
local terms energy: -28.726339
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.676
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -2.813
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: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -30.704798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.704798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.704798 (E_RNA)
where:
Base-Base interactions energy: -10.036
where: short stacking energy: -10.036
Base-Backbone interact. energy: -0.008
local terms energy: -20.660274
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -44.432803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.432803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.432803 (E_RNA)
where:
Base-Base interactions energy: -18.866
where: short stacking energy: -18.866
Base-Backbone interact. energy: -0.006
local terms energy: -25.561106
where:
bonds (distance) C4'-P energy: -4.056
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -6.915
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: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -43.938398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.938398 (E_RNA)
where:
Base-Base interactions energy: -16.248
where: short stacking energy: -16.248
Base-Backbone interact. energy: -0.000
local terms energy: -27.690190
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -43.532531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.532531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.532531 (E_RNA)
where:
Base-Base interactions energy: -17.151
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.059
local terms energy: -26.322407
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -4.994
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: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -49.049499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.049499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.049499 (E_RNA)
where:
Base-Base interactions energy: -22.226
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.000
local terms energy: -26.823625
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -0.687
tors. eta vs tors. theta energy: -6.408
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: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -40.728402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.728402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.728402 (E_RNA)
where:
Base-Base interactions energy: -14.869
where: short stacking energy: -14.869
Base-Backbone interact. energy: -0.002
local terms energy: -25.857404
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -1.155
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: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -37.088305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.088305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.088305 (E_RNA)
where:
Base-Base interactions energy: -11.124
where: short stacking energy: -10.301
Base-Backbone interact. energy: -0.293
local terms energy: -25.671535
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.425
flat angles P-C4'-P energy: -4.768
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: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -40.024577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.024577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.024577 (E_RNA)
where:
Base-Base interactions energy: -14.287
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.937
local terms energy: -24.799998
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -4.053
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -40.857128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.857128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.857128 (E_RNA)
where:
Base-Base interactions energy: -14.236
where: short stacking energy: -14.236
Base-Backbone interact. energy: -0.000
local terms energy: -26.621243
where:
bonds (distance) C4'-P energy: -3.898
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -35.102028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.102028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.102028 (E_RNA)
where:
Base-Base interactions energy: -12.843
where: short stacking energy: -12.843
Base-Backbone interact. energy: -0.000
local terms energy: -22.258283
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -5.201
flat angles P-C4'-P energy: -1.729
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: 42
Temperature: 1.350000
Total energy: -35.948071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.948071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.948071 (E_RNA)
where:
Base-Base interactions energy: -14.091
where: short stacking energy: -14.091
Base-Backbone interact. energy: -0.005
local terms energy: -21.852016
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -4.571
flat angles C4'-P-C4' energy: -3.878
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -47.568988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.568988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.568988 (E_RNA)
where:
Base-Base interactions energy: -18.761
where: short stacking energy: -18.761
Base-Backbone interact. energy: -0.000
local terms energy: -28.807863
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -45.769623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.769623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.769623 (E_RNA)
where:
Base-Base interactions energy: -21.258
where: short stacking energy: -21.258
Base-Backbone interact. energy: -0.006
local terms energy: -24.505583
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -5.649
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -48.198154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.198154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.198154 (E_RNA)
where:
Base-Base interactions energy: -18.477
where: short stacking energy: -16.973
Base-Backbone interact. energy: -0.004
local terms energy: -29.717203
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -41.505292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.505292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.505292 (E_RNA)
where:
Base-Base interactions energy: -15.650
where: short stacking energy: -15.650
Base-Backbone interact. energy: -0.047
local terms energy: -25.807853
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -5.715
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -40.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.853707 (E_RNA)
where:
Base-Base interactions energy: -14.230
where: short stacking energy: -14.230
Base-Backbone interact. energy: -0.067
local terms energy: -26.556986
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -7.034
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -40.709821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.709821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.709821 (E_RNA)
where:
Base-Base interactions energy: -17.265
where: short stacking energy: -17.265
Base-Backbone interact. energy: -0.047
local terms energy: -23.397839
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -38.288095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.288095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.288095 (E_RNA)
where:
Base-Base interactions energy: -13.865
where: short stacking energy: -10.703
Base-Backbone interact. energy: -0.011
local terms energy: -24.411272
where:
bonds (distance) C4'-P energy: -5.387
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.593
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -36.599341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.599341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.599341 (E_RNA)
where:
Base-Base interactions energy: -11.443
where: short stacking energy: -8.592
Base-Backbone interact. energy: -0.132
local terms energy: -25.024880
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -36.690999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.690999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.690999 (E_RNA)
where:
Base-Base interactions energy: -12.596
where: short stacking energy: -12.596
Base-Backbone interact. energy: -0.000
local terms energy: -24.095014
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -31.139943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.139943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.139943 (E_RNA)
where:
Base-Base interactions energy: -8.369
where: short stacking energy: -8.369
Base-Backbone interact. energy: -0.162
local terms energy: -22.608939
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -51.255024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.255024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.255024 (E_RNA)
where:
Base-Base interactions energy: -20.760
where: short stacking energy: -20.760
Base-Backbone interact. energy: -0.002
local terms energy: -30.493176
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.339
flat angles C4'-P-C4' energy: -7.017
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -46.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.180322 (E_RNA)
where:
Base-Base interactions energy: -19.837
where: short stacking energy: -19.837
Base-Backbone interact. energy: -0.000
local terms energy: -26.343405
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -4.371
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: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -44.340081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.340081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.340081 (E_RNA)
where:
Base-Base interactions energy: -19.513
where: short stacking energy: -17.571
Base-Backbone interact. energy: -0.003
local terms energy: -24.823747
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -48.656367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.656367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.656367 (E_RNA)
where:
Base-Base interactions energy: -20.363
where: short stacking energy: -20.363
Base-Backbone interact. energy: -0.008
local terms energy: -28.285495
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -4.823
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: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -41.472899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.472899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.472899 (E_RNA)
where:
Base-Base interactions energy: -18.467
where: short stacking energy: -18.043
Base-Backbone interact. energy: -0.000
local terms energy: -23.005201
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.762
flat angles C4'-P-C4' energy: -4.474
flat angles P-C4'-P energy: -1.759
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -35.808340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.808340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.808340 (E_RNA)
where:
Base-Base interactions energy: -13.068
where: short stacking energy: -12.174
Base-Backbone interact. energy: -0.004
local terms energy: -22.735970
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -2.322
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: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -42.822219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.822219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.822219 (E_RNA)
where:
Base-Base interactions energy: -18.841
where: short stacking energy: -18.841
Base-Backbone interact. energy: -0.000
local terms energy: -23.980963
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -3.778
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -36.420116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.420116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.420116 (E_RNA)
where:
Base-Base interactions energy: -12.775
where: short stacking energy: -9.860
Base-Backbone interact. energy: -0.009
local terms energy: -23.636880
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -3.233
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: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -37.881751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.881751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.881751 (E_RNA)
where:
Base-Base interactions energy: -15.542
where: short stacking energy: -15.542
Base-Backbone interact. energy: -0.000
local terms energy: -22.339988
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.413
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -32.914807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.914807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.914807 (E_RNA)
where:
Base-Base interactions energy: -9.898
where: short stacking energy: -9.898
Base-Backbone interact. energy: 0.097
local terms energy: -23.113164
where:
bonds (distance) C4'-P energy: -4.209
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.136
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -46.477272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.477272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.477272 (E_RNA)
where:
Base-Base interactions energy: -18.901
where: short stacking energy: -18.901
Base-Backbone interact. energy: -0.040
local terms energy: -27.536162
where:
bonds (distance) C4'-P energy: -3.869
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -41.205958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.205958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.205958 (E_RNA)
where:
Base-Base interactions energy: -20.126
where: short stacking energy: -16.104
Base-Backbone interact. energy: -0.513
local terms energy: -20.567015
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -6.413
flat angles C4'-P-C4' energy: -1.875
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -50.043196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.043196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.043196 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.000
local terms energy: -27.094075
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -3.473
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: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -43.650187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.650187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.650187 (E_RNA)
where:
Base-Base interactions energy: -16.238
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.002
local terms energy: -27.410590
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.945
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -4.985
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: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -40.564781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.564781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.564781 (E_RNA)
where:
Base-Base interactions energy: -17.763
where: short stacking energy: -17.763
Base-Backbone interact. energy: -0.087
local terms energy: -22.714633
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -40.025873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.025873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.025873 (E_RNA)
where:
Base-Base interactions energy: -14.046
where: short stacking energy: -14.046
Base-Backbone interact. energy: -0.000
local terms energy: -25.979696
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.223
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -50.571596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.571596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.571596 (E_RNA)
where:
Base-Base interactions energy: -22.599
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.000
local terms energy: -27.972244
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -44.534737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.534737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.534737 (E_RNA)
where:
Base-Base interactions energy: -16.489
where: short stacking energy: -16.489
Base-Backbone interact. energy: -0.094
local terms energy: -27.951490
where:
bonds (distance) C4'-P energy: -5.587
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -32.975205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.975205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.975205 (E_RNA)
where:
Base-Base interactions energy: -12.089
where: short stacking energy: -12.089
Base-Backbone interact. energy: -0.052
local terms energy: -20.834719
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: 0.535
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: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -32.457907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.457907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.457907 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.108
Base-Backbone interact. energy: 0.650
local terms energy: -20.132019
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -4.517
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -49.538892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.538892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.538892 (E_RNA)
where:
Base-Base interactions energy: -24.215
where: short stacking energy: -22.841
Base-Backbone interact. energy: -0.000
local terms energy: -25.323673
where:
bonds (distance) C4'-P energy: -4.469
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -2.069
tors. eta vs tors. theta energy: -5.498
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: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -49.316862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.316862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.316862 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -20.950
Base-Backbone interact. energy: -0.384
local terms energy: -23.167858
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -2.225
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -4.827
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: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -50.394274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.394274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.394274 (E_RNA)
where:
Base-Base interactions energy: -24.920
where: short stacking energy: -24.920
Base-Backbone interact. energy: -0.000
local terms energy: -25.474335
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -1.378
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -41.193324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.193324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.193324 (E_RNA)
where:
Base-Base interactions energy: -12.683
where: short stacking energy: -12.683
Base-Backbone interact. energy: -0.000
local terms energy: -28.510631
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -43.247959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.247959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.247959 (E_RNA)
where:
Base-Base interactions energy: -17.615
where: short stacking energy: -17.615
Base-Backbone interact. energy: -0.000
local terms energy: -25.632989
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -40.416396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.416396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.416396 (E_RNA)
where:
Base-Base interactions energy: -11.675
where: short stacking energy: -11.585
Base-Backbone interact. energy: -0.635
local terms energy: -28.106705
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -40.270661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.270661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.270661 (E_RNA)
where:
Base-Base interactions energy: -12.798
where: short stacking energy: -12.798
Base-Backbone interact. energy: -0.000
local terms energy: -27.472999
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -4.140
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -42.379199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.379199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.379199 (E_RNA)
where:
Base-Base interactions energy: -17.004
where: short stacking energy: -16.596
Base-Backbone interact. energy: -0.029
local terms energy: -25.345708
where:
bonds (distance) C4'-P energy: -4.865
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -31.291363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.291363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.291363 (E_RNA)
where:
Base-Base interactions energy: -14.053
where: short stacking energy: -11.147
Base-Backbone interact. energy: -0.069
local terms energy: -17.168945
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -1.443
flat angles P-C4'-P energy: -1.734
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -31.098172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.098172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.098172 (E_RNA)
where:
Base-Base interactions energy: -7.380
where: short stacking energy: -7.380
Base-Backbone interact. energy: -0.012
local terms energy: -23.706371
where:
bonds (distance) C4'-P energy: -5.803
bonds (distance) P-C4' energy: -5.794
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -0.649
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: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -48.929227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.929227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.929227 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -15.098
Base-Backbone interact. energy: -0.478
local terms energy: -28.951518
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.545
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -47.397124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.397124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.397124 (E_RNA)
where:
Base-Base interactions energy: -19.729
where: short stacking energy: -19.729
Base-Backbone interact. energy: -0.002
local terms energy: -27.665762
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -4.197
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -53.244138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.244138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.244138 (E_RNA)
where:
Base-Base interactions energy: -22.919
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.001
local terms energy: -30.324579
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -44.633078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.633078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.633078 (E_RNA)
where:
Base-Base interactions energy: -15.505
where: short stacking energy: -15.505
Base-Backbone interact. energy: -0.003
local terms energy: -29.125376
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.597
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -36.410052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.410052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.410052 (E_RNA)
where:
Base-Base interactions energy: -12.279
where: short stacking energy: -12.279
Base-Backbone interact. energy: -0.045
local terms energy: -24.086588
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -35.239866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.239866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.239866 (E_RNA)
where:
Base-Base interactions energy: -9.727
where: short stacking energy: -8.229
Base-Backbone interact. energy: -0.001
local terms energy: -25.512264
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -38.576130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.576130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.576130 (E_RNA)
where:
Base-Base interactions energy: -13.453
where: short stacking energy: -13.453
Base-Backbone interact. energy: -0.000
local terms energy: -25.123345
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -5.633
flat angles C4'-P-C4' energy: -5.498
flat angles P-C4'-P energy: -2.595
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -38.749684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.749684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.749684 (E_RNA)
where:
Base-Base interactions energy: -14.047
where: short stacking energy: -14.047
Base-Backbone interact. energy: -0.066
local terms energy: -24.636694
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -3.982
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -5.042
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: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -36.954170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.954170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.954170 (E_RNA)
where:
Base-Base interactions energy: -14.485
where: short stacking energy: -14.485
Base-Backbone interact. energy: -0.036
local terms energy: -22.433178
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -40.873980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.873980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.873980 (E_RNA)
where:
Base-Base interactions energy: -15.609
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.001
local terms energy: -25.263553
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -4.720
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -43.741193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.741193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.741193 (E_RNA)
where:
Base-Base interactions energy: -16.813
where: short stacking energy: -16.813
Base-Backbone interact. energy: -0.001
local terms energy: -26.927803
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -42.688614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.688614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.688614 (E_RNA)
where:
Base-Base interactions energy: -15.581
where: short stacking energy: -15.581
Base-Backbone interact. energy: -0.000
local terms energy: -27.108000
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -44.239612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.239612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.239612 (E_RNA)
where:
Base-Base interactions energy: -17.106
where: short stacking energy: -12.152
Base-Backbone interact. energy: 0.143
local terms energy: -27.276631
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.923
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -41.922184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.922184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.922184 (E_RNA)
where:
Base-Base interactions energy: -16.275
where: short stacking energy: -16.275
Base-Backbone interact. energy: -0.016
local terms energy: -25.631444
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -3.933
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -4.849
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: 48
Temperature: 1.100000
Total energy: -33.817587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.817587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.817587 (E_RNA)
where:
Base-Base interactions energy: -11.106
where: short stacking energy: -11.106
Base-Backbone interact. energy: -0.008
local terms energy: -22.703256
where:
bonds (distance) C4'-P energy: -4.561
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -38.089931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.089931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.089931 (E_RNA)
where:
Base-Base interactions energy: -15.803
where: short stacking energy: -15.803
Base-Backbone interact. energy: -0.010
local terms energy: -22.276936
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -44.350866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.350866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.350866 (E_RNA)
where:
Base-Base interactions energy: -15.467
where: short stacking energy: -15.361
Base-Backbone interact. energy: -0.000
local terms energy: -28.883248
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.317
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -36.196755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.196755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.196755 (E_RNA)
where:
Base-Base interactions energy: -13.119
where: short stacking energy: -11.534
Base-Backbone interact. energy: -0.111
local terms energy: -22.967141
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -38.969044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.969044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.969044 (E_RNA)
where:
Base-Base interactions energy: -15.176
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.000
local terms energy: -23.792672
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -3.126
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -32.483109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.483109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.483109 (E_RNA)
where:
Base-Base interactions energy: -11.798
where: short stacking energy: -11.798
Base-Backbone interact. energy: -0.002
local terms energy: -20.683491
where:
bonds (distance) C4'-P energy: -3.463
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -7.272
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -49.864391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.864391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.864391 (E_RNA)
where:
Base-Base interactions energy: -21.940
where: short stacking energy: -20.285
Base-Backbone interact. energy: -0.000
local terms energy: -27.923706
where:
bonds (distance) C4'-P energy: -3.604
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -44.479065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.479065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.479065 (E_RNA)
where:
Base-Base interactions energy: -16.605
where: short stacking energy: -16.605
Base-Backbone interact. energy: -0.097
local terms energy: -27.777312
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -42.953259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.953259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.953259 (E_RNA)
where:
Base-Base interactions energy: -17.123
where: short stacking energy: -17.123
Base-Backbone interact. energy: -0.000
local terms energy: -25.829931
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.708
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -39.710862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.710862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.710862 (E_RNA)
where:
Base-Base interactions energy: -15.291
where: short stacking energy: -15.269
Base-Backbone interact. energy: 1.363
local terms energy: -25.783648
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -4.677
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: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -42.922681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.922681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.922681 (E_RNA)
where:
Base-Base interactions energy: -13.758
where: short stacking energy: -13.049
Base-Backbone interact. energy: -0.498
local terms energy: -28.666680
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -39.191386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.191386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.191386 (E_RNA)
where:
Base-Base interactions energy: -14.770
where: short stacking energy: -14.770
Base-Backbone interact. energy: -0.000
local terms energy: -24.421395
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -3.372
flat angles P-C4'-P energy: -1.228
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -35.711967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.711967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.711967 (E_RNA)
where:
Base-Base interactions energy: -11.351
where: short stacking energy: -11.351
Base-Backbone interact. energy: -0.000
local terms energy: -24.361412
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -39.941296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.941296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.941296 (E_RNA)
where:
Base-Base interactions energy: -14.581
where: short stacking energy: -13.355
Base-Backbone interact. energy: -0.034
local terms energy: -25.326441
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -3.474
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -33.702211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.702211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.702211 (E_RNA)
where:
Base-Base interactions energy: -14.027
where: short stacking energy: -14.027
Base-Backbone interact. energy: -0.000
local terms energy: -19.675139
where:
bonds (distance) C4'-P energy: -3.604
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.708
flat angles P-C4'-P energy: -0.658
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -33.395453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.395453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.395453 (E_RNA)
where:
Base-Base interactions energy: -10.059
where: short stacking energy: -10.059
Base-Backbone interact. energy: -0.005
local terms energy: -23.330880
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: 0.277
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -54.022970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.022970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.022970 (E_RNA)
where:
Base-Base interactions energy: -24.959
where: short stacking energy: -24.959
Base-Backbone interact. energy: -0.000
local terms energy: -29.064014
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.164
flat angles P-C4'-P energy: -2.872
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: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -53.560349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.560349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.560349 (E_RNA)
where:
Base-Base interactions energy: -23.102
where: short stacking energy: -23.102
Base-Backbone interact. energy: -0.001
local terms energy: -30.457260
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -6.203
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: 50
Temperature: 1.000000
Total energy: -52.133881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.133881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.133881 (E_RNA)
where:
Base-Base interactions energy: -23.428
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.000
local terms energy: -28.706057
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -5.092
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -48.252919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.252919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.252919 (E_RNA)
where:
Base-Base interactions energy: -20.699
where: short stacking energy: -18.262
Base-Backbone interact. energy: -0.001
local terms energy: -27.553557
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.032
flat angles C4'-P-C4' energy: -5.419
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -49.196684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.196684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.196684 (E_RNA)
where:
Base-Base interactions energy: -19.789
where: short stacking energy: -19.789
Base-Backbone interact. energy: -0.000
local terms energy: -29.407699
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -38.829838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.829838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.829838 (E_RNA)
where:
Base-Base interactions energy: -12.906
where: short stacking energy: -12.906
Base-Backbone interact. energy: -0.006
local terms energy: -25.918106
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -39.988055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.988055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.988055 (E_RNA)
where:
Base-Base interactions energy: -13.794
where: short stacking energy: -13.794
Base-Backbone interact. energy: 0.519
local terms energy: -26.712772
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -43.131003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.131003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.131003 (E_RNA)
where:
Base-Base interactions energy: -15.692
where: short stacking energy: -15.692
Base-Backbone interact. energy: -0.003
local terms energy: -27.436286
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.079
flat angles C4'-P-C4' energy: -5.774
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -34.131875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.131875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.131875 (E_RNA)
where:
Base-Base interactions energy: -12.632
where: short stacking energy: -11.117
Base-Backbone interact. energy: 0.147
local terms energy: -21.646789
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -2.945
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -3.935
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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -34.459473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.459473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.459473 (E_RNA)
where:
Base-Base interactions energy: -10.949
where: short stacking energy: -10.949
Base-Backbone interact. energy: -0.000
local terms energy: -23.510849
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -5.022
flat angles C4'-P-C4' energy: -4.058
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -55.697588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.697588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.697588 (E_RNA)
where:
Base-Base interactions energy: -23.126
where: short stacking energy: -23.126
Base-Backbone interact. energy: -0.000
local terms energy: -32.571927
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -46.528345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.528345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.528345 (E_RNA)
where:
Base-Base interactions energy: -20.615
where: short stacking energy: -20.615
Base-Backbone interact. energy: -0.000
local terms energy: -25.913765
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -4.451
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: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -45.426442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.426442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.426442 (E_RNA)
where:
Base-Base interactions energy: -15.782
where: short stacking energy: -15.782
Base-Backbone interact. energy: -0.002
local terms energy: -29.643346
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -5.898
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -44.163650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.163650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.163650 (E_RNA)
where:
Base-Base interactions energy: -18.255
where: short stacking energy: -18.255
Base-Backbone interact. energy: -0.050
local terms energy: -25.858545
where:
bonds (distance) C4'-P energy: -3.949
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -44.294104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.294104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.294104 (E_RNA)
where:
Base-Base interactions energy: -19.532
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.004
local terms energy: -24.758208
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -42.700512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.700512 (E_RNA)
where:
Base-Base interactions energy: -17.006
where: short stacking energy: -15.303
Base-Backbone interact. energy: -0.000
local terms energy: -25.694346
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.210
flat angles P-C4'-P energy: -4.525
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: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -35.327907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.327907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.327907 (E_RNA)
where:
Base-Base interactions energy: -10.342
where: short stacking energy: -10.342
Base-Backbone interact. energy: -0.552
local terms energy: -24.433931
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -42.893617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.893617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.893617 (E_RNA)
where:
Base-Base interactions energy: -16.887
where: short stacking energy: -16.156
Base-Backbone interact. energy: -0.019
local terms energy: -25.988495
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.893
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -39.369871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.369871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.369871 (E_RNA)
where:
Base-Base interactions energy: -16.463
where: short stacking energy: -15.948
Base-Backbone interact. energy: -0.104
local terms energy: -22.803591
where:
bonds (distance) C4'-P energy: -3.790
bonds (distance) P-C4' energy: -4.802
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -4.972
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: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -34.751593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.751593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.751593 (E_RNA)
where:
Base-Base interactions energy: -13.420
where: short stacking energy: -13.420
Base-Backbone interact. energy: -0.001
local terms energy: -21.330606
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.143
flat angles P-C4'-P energy: -1.004
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -45.964781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.964781 (E_RNA)
where:
Base-Base interactions energy: -21.107
where: short stacking energy: -14.731
Base-Backbone interact. energy: -0.074
local terms energy: -24.784340
where:
bonds (distance) C4'-P energy: -2.945
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -2.638
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: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -46.065604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.065604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.065604 (E_RNA)
where:
Base-Base interactions energy: -20.371
where: short stacking energy: -20.371
Base-Backbone interact. energy: -0.000
local terms energy: -25.695022
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -4.948
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -44.880263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.880263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.880263 (E_RNA)
where:
Base-Base interactions energy: -19.300
where: short stacking energy: -15.663
Base-Backbone interact. energy: -0.007
local terms energy: -25.573464
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -5.886
flat angles P-C4'-P energy: -0.564
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -48.025430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.025430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.025430 (E_RNA)
where:
Base-Base interactions energy: -20.580
where: short stacking energy: -20.580
Base-Backbone interact. energy: -0.000
local terms energy: -27.445077
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.369
flat angles P-C4'-P energy: -2.545
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -35.545519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.545519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.545519 (E_RNA)
where:
Base-Base interactions energy: -12.061
where: short stacking energy: -12.061
Base-Backbone interact. energy: -0.382
local terms energy: -23.101947
where:
bonds (distance) C4'-P energy: -4.821
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -3.071
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -40.000264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.000264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.000264 (E_RNA)
where:
Base-Base interactions energy: -15.105
where: short stacking energy: -15.105
Base-Backbone interact. energy: 0.002
local terms energy: -24.897294
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -41.152632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.152632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.152632 (E_RNA)
where:
Base-Base interactions energy: -16.214
where: short stacking energy: -13.783
Base-Backbone interact. energy: -0.002
local terms energy: -24.936542
where:
bonds (distance) C4'-P energy: -4.030
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -32.507264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.507264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.507264 (E_RNA)
where:
Base-Base interactions energy: -9.821
where: short stacking energy: -9.821
Base-Backbone interact. energy: -0.986
local terms energy: -21.699361
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.974
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -38.645735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.645735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.645735 (E_RNA)
where:
Base-Base interactions energy: -9.271
where: short stacking energy: -9.271
Base-Backbone interact. energy: -0.000
local terms energy: -29.375173
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -5.336
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -41.714138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.714138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.714138 (E_RNA)
where:
Base-Base interactions energy: -15.946
where: short stacking energy: -15.946
Base-Backbone interact. energy: -0.040
local terms energy: -25.728271
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -1.629
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -53.408921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.408921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.408921 (E_RNA)
where:
Base-Base interactions energy: -23.848
where: short stacking energy: -20.466
Base-Backbone interact. energy: -0.003
local terms energy: -29.558543
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -5.971
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: 53
Temperature: 0.950000
Total energy: -50.201508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.201508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.201508 (E_RNA)
where:
Base-Base interactions energy: -22.285
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.000
local terms energy: -27.916805
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -5.386
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -46.566976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.566976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.566976 (E_RNA)
where:
Base-Base interactions energy: -22.455
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.008
local terms energy: -24.103939
where:
bonds (distance) C4'-P energy: -4.035
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -54.811894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.811894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.811894 (E_RNA)
where:
Base-Base interactions energy: -24.130
where: short stacking energy: -23.960
Base-Backbone interact. energy: -0.422
local terms energy: -30.260312
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -42.072559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.072559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.072559 (E_RNA)
where:
Base-Base interactions energy: -16.621
where: short stacking energy: -16.621
Base-Backbone interact. energy: -0.003
local terms energy: -25.447791
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -5.205
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -36.108796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.108796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.108796 (E_RNA)
where:
Base-Base interactions energy: -11.217
where: short stacking energy: -11.217
Base-Backbone interact. energy: -0.000
local terms energy: -24.891546
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -3.891
flat angles C4'-P-C4' energy: -5.558
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -3.483
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: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -40.256169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.256169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.256169 (E_RNA)
where:
Base-Base interactions energy: -13.657
where: short stacking energy: -13.657
Base-Backbone interact. energy: -0.042
local terms energy: -26.556561
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -35.239987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.239987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.239987 (E_RNA)
where:
Base-Base interactions energy: -11.285
where: short stacking energy: -11.285
Base-Backbone interact. energy: -0.015
local terms energy: -23.940533
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -36.766841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.766841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.766841 (E_RNA)
where:
Base-Base interactions energy: -12.509
where: short stacking energy: -12.509
Base-Backbone interact. energy: -0.000
local terms energy: -24.257335
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -3.392
flat angles P-C4'-P energy: -3.732
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: 53
Temperature: 1.350000
Total energy: -34.158302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.158302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.158302 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -12.050
Base-Backbone interact. energy: -0.091
local terms energy: -22.017372
where:
bonds (distance) C4'-P energy: -2.760
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -51.119785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.119785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.119785 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -24.700
Base-Backbone interact. energy: -0.000
local terms energy: -26.419623
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -5.409
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -56.164989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.164989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.164989 (E_RNA)
where:
Base-Base interactions energy: -25.961
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.000
local terms energy: -30.203540
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -56.223659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.223659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.223659 (E_RNA)
where:
Base-Base interactions energy: -23.604
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.001
local terms energy: -32.619025
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -47.368024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.368024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.368024 (E_RNA)
where:
Base-Base interactions energy: -18.953
where: short stacking energy: -18.953
Base-Backbone interact. energy: -0.015
local terms energy: -28.400627
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -3.654
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: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -47.995748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.995748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.995748 (E_RNA)
where:
Base-Base interactions energy: -22.031
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.002
local terms energy: -25.963204
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -4.589
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -42.620542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620542 (E_RNA)
where:
Base-Base interactions energy: -14.376
where: short stacking energy: -14.376
Base-Backbone interact. energy: -0.004
local terms energy: -28.241392
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -41.125486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.125486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.125486 (E_RNA)
where:
Base-Base interactions energy: -18.051
where: short stacking energy: -15.421
Base-Backbone interact. energy: -0.102
local terms energy: -22.971675
where:
bonds (distance) C4'-P energy: -3.844
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.747
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -42.013074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.013074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.013074 (E_RNA)
where:
Base-Base interactions energy: -19.250
where: short stacking energy: -18.284
Base-Backbone interact. energy: -0.000
local terms energy: -22.762757
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -3.985
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -2.580
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -43.044170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.044170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.044170 (E_RNA)
where:
Base-Base interactions energy: -15.323
where: short stacking energy: -12.677
Base-Backbone interact. energy: -0.001
local terms energy: -27.720027
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -34.838134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.838134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.838134 (E_RNA)
where:
Base-Base interactions energy: -12.490
where: short stacking energy: -10.961
Base-Backbone interact. energy: -0.066
local terms energy: -22.282569
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.745
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -2.018
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: 55
Temperature: 0.900000
Total energy: -53.580585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.580585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.580585 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.008
local terms energy: -27.372780
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -5.268
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -49.468219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.468219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.468219 (E_RNA)
where:
Base-Base interactions energy: -19.408
where: short stacking energy: -19.408
Base-Backbone interact. energy: -0.000
local terms energy: -30.059859
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -58.486918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.486918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.486918 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.000
local terms energy: -30.885063
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -45.780235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.780235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.780235 (E_RNA)
where:
Base-Base interactions energy: -19.112
where: short stacking energy: -16.755
Base-Backbone interact. energy: -0.073
local terms energy: -26.595304
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -43.024034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.024034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.024034 (E_RNA)
where:
Base-Base interactions energy: -17.103
where: short stacking energy: -17.103
Base-Backbone interact. energy: -0.072
local terms energy: -25.849033
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -47.040579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.040579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.040579 (E_RNA)
where:
Base-Base interactions energy: -21.006
where: short stacking energy: -21.006
Base-Backbone interact. energy: -0.004
local terms energy: -26.030650
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -4.254
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -5.928
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: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -39.748040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.748040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.748040 (E_RNA)
where:
Base-Base interactions energy: -12.769
where: short stacking energy: -12.769
Base-Backbone interact. energy: -0.001
local terms energy: -26.978711
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -3.365
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: 55
Temperature: 1.250000
Total energy: -38.486202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.486202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.486202 (E_RNA)
where:
Base-Base interactions energy: -15.354
where: short stacking energy: -15.354
Base-Backbone interact. energy: -0.100
local terms energy: -23.032090
where:
bonds (distance) C4'-P energy: -3.177
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -4.389
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -43.729612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.729612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.729612 (E_RNA)
where:
Base-Base interactions energy: -17.350
where: short stacking energy: -17.350
Base-Backbone interact. energy: -0.000
local terms energy: -26.379686
where:
bonds (distance) C4'-P energy: -4.838
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -5.821
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: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -35.302354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.302354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.302354 (E_RNA)
where:
Base-Base interactions energy: -12.077
where: short stacking energy: -12.077
Base-Backbone interact. energy: -0.000
local terms energy: -23.225370
where:
bonds (distance) C4'-P energy: -5.335
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -51.447437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.447437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.447437 (E_RNA)
where:
Base-Base interactions energy: -24.095
where: short stacking energy: -17.670
Base-Backbone interact. energy: -0.000
local terms energy: -27.351700
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -44.828352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.828352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.828352 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.102
local terms energy: -26.947102
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -46.069837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.069837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.069837 (E_RNA)
where:
Base-Base interactions energy: -16.508
where: short stacking energy: -13.930
Base-Backbone interact. energy: -0.002
local terms energy: -29.560064
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -5.431
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: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -48.708580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.708580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.708580 (E_RNA)
where:
Base-Base interactions energy: -19.398
where: short stacking energy: -19.398
Base-Backbone interact. energy: -0.100
local terms energy: -29.210523
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.437
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -6.160
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: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -47.261776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.261776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.261776 (E_RNA)
where:
Base-Base interactions energy: -21.402
where: short stacking energy: -21.402
Base-Backbone interact. energy: -0.101
local terms energy: -25.759477
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -37.076536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.076536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.076536 (E_RNA)
where:
Base-Base interactions energy: -13.332
where: short stacking energy: -13.180
Base-Backbone interact. energy: -0.000
local terms energy: -23.744176
where:
bonds (distance) C4'-P energy: -3.178
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.931
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -3.620
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: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -46.874333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.874333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.874333 (E_RNA)
where:
Base-Base interactions energy: -19.982
where: short stacking energy: -19.982
Base-Backbone interact. energy: -0.000
local terms energy: -26.892044
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -3.405
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -32.635820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.635820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.635820 (E_RNA)
where:
Base-Base interactions energy: -14.427
where: short stacking energy: -14.427
Base-Backbone interact. energy: -0.104
local terms energy: -18.104525
where:
bonds (distance) C4'-P energy: -2.299
bonds (distance) P-C4' energy: -5.715
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -38.594322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.594322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.594322 (E_RNA)
where:
Base-Base interactions energy: -13.454
where: short stacking energy: -12.318
Base-Backbone interact. energy: -0.002
local terms energy: -25.138912
where:
bonds (distance) C4'-P energy: -3.455
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.778
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -37.620606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.620606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.620606 (E_RNA)
where:
Base-Base interactions energy: -14.899
where: short stacking energy: -13.697
Base-Backbone interact. energy: -0.102
local terms energy: -22.619249
where:
bonds (distance) C4'-P energy: -4.866
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -1.809
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -47.476703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.476703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.476703 (E_RNA)
where:
Base-Base interactions energy: -17.114
where: short stacking energy: -15.814
Base-Backbone interact. energy: 0.488
local terms energy: -30.850621
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -4.573
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: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -45.268674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.268674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.268674 (E_RNA)
where:
Base-Base interactions energy: -20.044
where: short stacking energy: -20.044
Base-Backbone interact. energy: -0.000
local terms energy: -25.224321
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -2.648
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: 57
Temperature: 1.000000
Total energy: -45.821425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.821425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.821425 (E_RNA)
where:
Base-Base interactions energy: -19.219
where: short stacking energy: -19.219
Base-Backbone interact. energy: -0.001
local terms energy: -26.601432
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -50.612466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.612466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.612466 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -23.016
Base-Backbone interact. energy: -0.000
local terms energy: -27.596013
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -40.135843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.135843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.135843 (E_RNA)
where:
Base-Base interactions energy: -15.870
where: short stacking energy: -15.870
Base-Backbone interact. energy: -0.067
local terms energy: -24.198567
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -3.492
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -38.149426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.149426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.149426 (E_RNA)
where:
Base-Base interactions energy: -18.806
where: short stacking energy: -15.675
Base-Backbone interact. energy: -0.014
local terms energy: -19.329251
where:
bonds (distance) C4'-P energy: -2.445
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -2.409
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: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -38.503013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.503013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.503013 (E_RNA)
where:
Base-Base interactions energy: -13.367
where: short stacking energy: -11.479
Base-Backbone interact. energy: -0.001
local terms energy: -25.135482
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -36.177169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.177169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.177169 (E_RNA)
where:
Base-Base interactions energy: -10.359
where: short stacking energy: -6.707
Base-Backbone interact. energy: -0.388
local terms energy: -25.430623
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -1.261
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -35.417013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.417013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.417013 (E_RNA)
where:
Base-Base interactions energy: -11.888
where: short stacking energy: -11.082
Base-Backbone interact. energy: -0.113
local terms energy: -23.416245
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -4.160
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -40.735555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.735555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.735555 (E_RNA)
where:
Base-Base interactions energy: -16.722
where: short stacking energy: -16.722
Base-Backbone interact. energy: -0.000
local terms energy: -24.012804
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -5.622
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -54.282048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.282048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.282048 (E_RNA)
where:
Base-Base interactions energy: -26.633
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.034
local terms energy: -27.615280
where:
bonds (distance) C4'-P energy: -5.425
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -2.065
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -47.949652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.949652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.949652 (E_RNA)
where:
Base-Base interactions energy: -21.539
where: short stacking energy: -21.451
Base-Backbone interact. energy: -0.000
local terms energy: -26.410730
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -44.467151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.467151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.467151 (E_RNA)
where:
Base-Base interactions energy: -18.336
where: short stacking energy: -18.336
Base-Backbone interact. energy: -0.060
local terms energy: -26.071531
where:
bonds (distance) C4'-P energy: -3.044
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -4.165
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: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -44.529163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.529163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.529163 (E_RNA)
where:
Base-Base interactions energy: -19.462
where: short stacking energy: -19.462
Base-Backbone interact. energy: -0.000
local terms energy: -25.066978
where:
bonds (distance) C4'-P energy: -4.585
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -49.315396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.315396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.315396 (E_RNA)
where:
Base-Base interactions energy: -24.638
where: short stacking energy: -24.638
Base-Backbone interact. energy: -0.001
local terms energy: -24.676911
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: 0.826
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: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -38.377186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.377186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.377186 (E_RNA)
where:
Base-Base interactions energy: -15.685
where: short stacking energy: -15.685
Base-Backbone interact. energy: -0.005
local terms energy: -22.687620
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -4.094
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -38.397327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.397327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.397327 (E_RNA)
where:
Base-Base interactions energy: -17.628
where: short stacking energy: -15.406
Base-Backbone interact. energy: -0.010
local terms energy: -20.759869
where:
bonds (distance) C4'-P energy: -3.976
bonds (distance) P-C4' energy: -6.569
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -1.956
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -40.346601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.346601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.346601 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -11.556
Base-Backbone interact. energy: -0.097
local terms energy: -27.107039
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -35.536694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.536694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.536694 (E_RNA)
where:
Base-Base interactions energy: -15.892
where: short stacking energy: -15.892
Base-Backbone interact. energy: -0.108
local terms energy: -19.536169
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -0.760
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: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -31.232716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.232716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.232716 (E_RNA)
where:
Base-Base interactions energy: -12.112
where: short stacking energy: -12.112
Base-Backbone interact. energy: -0.039
local terms energy: -19.082239
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -54.731243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.731243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.731243 (E_RNA)
where:
Base-Base interactions energy: -21.856
where: short stacking energy: -21.856
Base-Backbone interact. energy: -0.002
local terms energy: -32.873251
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -5.649
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: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -47.126182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.126182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.126182 (E_RNA)
where:
Base-Base interactions energy: -22.783
where: short stacking energy: -15.977
Base-Backbone interact. energy: -0.000
local terms energy: -24.343143
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.315
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -44.071193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.071193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.071193 (E_RNA)
where:
Base-Base interactions energy: -18.339
where: short stacking energy: -18.339
Base-Backbone interact. energy: -0.002
local terms energy: -25.730307
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -47.513216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.513216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.513216 (E_RNA)
where:
Base-Base interactions energy: -20.252
where: short stacking energy: -20.252
Base-Backbone interact. energy: -0.000
local terms energy: -27.260899
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -6.680
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -47.664093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.664093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.664093 (E_RNA)
where:
Base-Base interactions energy: -18.413
where: short stacking energy: -16.404
Base-Backbone interact. energy: -0.000
local terms energy: -29.250526
where:
bonds (distance) C4'-P energy: -4.937
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.983
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -36.086056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086056 (E_RNA)
where:
Base-Base interactions energy: -12.533
where: short stacking energy: -12.533
Base-Backbone interact. energy: -0.145
local terms energy: -23.407755
where:
bonds (distance) C4'-P energy: -4.263
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -34.840237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.840237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.840237 (E_RNA)
where:
Base-Base interactions energy: -12.213
where: short stacking energy: -9.082
Base-Backbone interact. energy: -0.059
local terms energy: -22.568243
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -5.407
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: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -35.965602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965602 (E_RNA)
where:
Base-Base interactions energy: -11.672
where: short stacking energy: -11.672
Base-Backbone interact. energy: -0.066
local terms energy: -24.227066
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -35.815815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.815815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.815815 (E_RNA)
where:
Base-Base interactions energy: -8.967
where: short stacking energy: -8.967
Base-Backbone interact. energy: -0.000
local terms energy: -26.848747
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -7.328
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -33.635182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.635182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.635182 (E_RNA)
where:
Base-Base interactions energy: -10.621
where: short stacking energy: -10.621
Base-Backbone interact. energy: -0.099
local terms energy: -22.914843
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -3.647
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: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -52.280227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.280227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.280227 (E_RNA)
where:
Base-Base interactions energy: -24.511
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.000
local terms energy: -27.769197
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -50.680540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.680540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.680540 (E_RNA)
where:
Base-Base interactions energy: -19.874
where: short stacking energy: -19.549
Base-Backbone interact. energy: -0.000
local terms energy: -30.806088
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -48.976547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.976547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.976547 (E_RNA)
where:
Base-Base interactions energy: -19.841
where: short stacking energy: -19.841
Base-Backbone interact. energy: -0.075
local terms energy: -29.060800
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -3.972
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: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -45.416076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.416076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.416076 (E_RNA)
where:
Base-Base interactions energy: -15.844
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.000
local terms energy: -29.572256
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -38.214312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.214312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.214312 (E_RNA)
where:
Base-Base interactions energy: -10.030
where: short stacking energy: -10.030
Base-Backbone interact. energy: -0.096
local terms energy: -28.088347
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -39.531705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.531705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.531705 (E_RNA)
where:
Base-Base interactions energy: -14.625
where: short stacking energy: -11.917
Base-Backbone interact. energy: -0.032
local terms energy: -24.874463
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -1.797
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: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -35.767455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.767455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.767455 (E_RNA)
where:
Base-Base interactions energy: -11.509
where: short stacking energy: -11.509
Base-Backbone interact. energy: -0.000
local terms energy: -24.257923
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -3.201
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -38.325063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.325063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.325063 (E_RNA)
where:
Base-Base interactions energy: -15.053
where: short stacking energy: -15.053
Base-Backbone interact. energy: -0.018
local terms energy: -23.254617
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -4.126
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -38.174793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.174793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.174793 (E_RNA)
where:
Base-Base interactions energy: -16.415
where: short stacking energy: -15.041
Base-Backbone interact. energy: -0.012
local terms energy: -21.748063
where:
bonds (distance) C4'-P energy: -3.951
bonds (distance) P-C4' energy: -4.022
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -4.055
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: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -35.184555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.184555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.184555 (E_RNA)
where:
Base-Base interactions energy: -13.771
where: short stacking energy: -11.682
Base-Backbone interact. energy: -0.000
local terms energy: -21.413629
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -3.973
flat angles C4'-P-C4' energy: -3.775
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -62.088618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.088618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.088618 (E_RNA)
where:
Base-Base interactions energy: -27.286
where: short stacking energy: -27.286
Base-Backbone interact. energy: -0.000
local terms energy: -34.802137
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -9.111
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: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -53.252986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.252986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.252986 (E_RNA)
where:
Base-Base interactions energy: -23.023
where: short stacking energy: -23.023
Base-Backbone interact. energy: -0.000
local terms energy: -30.229985
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.533
flat angles P-C4'-P energy: -5.271
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: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -41.955562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.955562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.955562 (E_RNA)
where:
Base-Base interactions energy: -18.977
where: short stacking energy: -17.362
Base-Backbone interact. energy: -0.002
local terms energy: -22.976988
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -2.262
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: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -38.828087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.828087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.828087 (E_RNA)
where:
Base-Base interactions energy: -15.454
where: short stacking energy: -15.454
Base-Backbone interact. energy: -0.140
local terms energy: -23.234526
where:
bonds (distance) C4'-P energy: -3.658
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -39.339897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.339897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.339897 (E_RNA)
where:
Base-Base interactions energy: -12.723
where: short stacking energy: -12.723
Base-Backbone interact. energy: -0.007
local terms energy: -26.609953
where:
bonds (distance) C4'-P energy: -5.512
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -4.458
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -34.138681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.138681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.138681 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -11.487
Base-Backbone interact. energy: -0.949
local terms energy: -21.702911
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -37.156237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.156237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.156237 (E_RNA)
where:
Base-Base interactions energy: -13.457
where: short stacking energy: -12.877
Base-Backbone interact. energy: -0.000
local terms energy: -23.698752
where:
bonds (distance) C4'-P energy: -4.907
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -38.433965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.433965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.433965 (E_RNA)
where:
Base-Base interactions energy: -15.885
where: short stacking energy: -15.885
Base-Backbone interact. energy: -0.004
local terms energy: -22.545826
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -5.749
flat angles C4'-P-C4' energy: -3.166
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -5.141
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -30.894506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.894506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.894506 (E_RNA)
where:
Base-Base interactions energy: -12.275
where: short stacking energy: -10.164
Base-Backbone interact. energy: -0.004
local terms energy: -18.615777
where:
bonds (distance) C4'-P energy: -3.699
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: 0.657
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -38.377886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.377886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.377886 (E_RNA)
where:
Base-Base interactions energy: -16.718
where: short stacking energy: -15.790
Base-Backbone interact. energy: -0.041
local terms energy: -21.618551
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -2.221
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: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -60.047958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.047958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.047958 (E_RNA)
where:
Base-Base interactions energy: -26.708
where: short stacking energy: -26.708
Base-Backbone interact. energy: -0.000
local terms energy: -33.339641
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -42.072014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.072014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.072014 (E_RNA)
where:
Base-Base interactions energy: -14.944
where: short stacking energy: -14.944
Base-Backbone interact. energy: -0.001
local terms energy: -27.127011
where:
bonds (distance) C4'-P energy: -5.483
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -40.984314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984314 (E_RNA)
where:
Base-Base interactions energy: -12.682
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.003
local terms energy: -28.298648
where:
bonds (distance) C4'-P energy: -4.456
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.104
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: -5.226
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -46.502432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.502432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.502432 (E_RNA)
where:
Base-Base interactions energy: -18.323
where: short stacking energy: -18.323
Base-Backbone interact. energy: -0.000
local terms energy: -28.179072
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -44.978755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.978755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.978755 (E_RNA)
where:
Base-Base interactions energy: -18.226
where: short stacking energy: -18.226
Base-Backbone interact. energy: -0.017
local terms energy: -26.735462
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.565
flat angles C4'-P-C4' energy: -6.019
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -34.895218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.895218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.895218 (E_RNA)
where:
Base-Base interactions energy: -11.385
where: short stacking energy: -11.623
Base-Backbone interact. energy: -0.000
local terms energy: -23.510242
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -5.985
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -36.025455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.025455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.025455 (E_RNA)
where:
Base-Base interactions energy: -11.225
where: short stacking energy: -11.225
Base-Backbone interact. energy: -0.105
local terms energy: -24.695547
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -5.087
flat angles P-C4'-P energy: -4.020
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: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -38.553239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.553239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.553239 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -13.047
Base-Backbone interact. energy: -0.076
local terms energy: -21.688420
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.005
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -0.883
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -35.180450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.180450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.180450 (E_RNA)
where:
Base-Base interactions energy: -11.301
where: short stacking energy: -11.301
Base-Backbone interact. energy: -0.052
local terms energy: -23.828178
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: 1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -29.048907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.048907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.048907 (E_RNA)
where:
Base-Base interactions energy: -11.932
where: short stacking energy: -11.932
Base-Backbone interact. energy: -0.043
local terms energy: -17.074120
where:
bonds (distance) C4'-P energy: -4.658
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -3.271
flat angles P-C4'-P energy: -0.699
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: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -51.221865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.221865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.221865 (E_RNA)
where:
Base-Base interactions energy: -21.436
where: short stacking energy: -21.436
Base-Backbone interact. energy: -0.000
local terms energy: -29.785726
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -4.083
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: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -53.885029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.885029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.885029 (E_RNA)
where:
Base-Base interactions energy: -24.395
where: short stacking energy: -24.395
Base-Backbone interact. energy: -0.000
local terms energy: -29.489612
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -48.144088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.144088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.144088 (E_RNA)
where:
Base-Base interactions energy: -18.531
where: short stacking energy: -18.531
Base-Backbone interact. energy: 0.034
local terms energy: -29.647447
where:
bonds (distance) C4'-P energy: -6.593
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.713
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -40.443562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.443562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.443562 (E_RNA)
where:
Base-Base interactions energy: -16.473
where: short stacking energy: -16.473
Base-Backbone interact. energy: -0.001
local terms energy: -23.968759
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.771
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -40.363271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.363271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.363271 (E_RNA)
where:
Base-Base interactions energy: -15.910
where: short stacking energy: -15.910
Base-Backbone interact. energy: -0.036
local terms energy: -24.417245
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -3.073
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -38.419975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.419975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.419975 (E_RNA)
where:
Base-Base interactions energy: -12.201
where: short stacking energy: -12.201
Base-Backbone interact. energy: -0.101
local terms energy: -26.118252
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -35.581246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.581246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.581246 (E_RNA)
where:
Base-Base interactions energy: -15.344
where: short stacking energy: -15.110
Base-Backbone interact. energy: -0.054
local terms energy: -20.183039
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -2.094
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -5.628
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: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -39.097894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.097894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.097894 (E_RNA)
where:
Base-Base interactions energy: -13.360
where: short stacking energy: -12.577
Base-Backbone interact. energy: -0.003
local terms energy: -25.735162
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -5.019
flat angles C4'-P-C4' energy: -5.172
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -37.771209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.771209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.771209 (E_RNA)
where:
Base-Base interactions energy: -10.380
where: short stacking energy: -10.380
Base-Backbone interact. energy: -0.043
local terms energy: -27.347595
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -28.785749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.785749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.785749 (E_RNA)
where:
Base-Base interactions energy: -12.819
where: short stacking energy: -9.539
Base-Backbone interact. energy: -0.037
local terms energy: -15.929993
where:
bonds (distance) C4'-P energy: -0.862
bonds (distance) P-C4' energy: -4.437
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: -0.625
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: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -59.036037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.036037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.036037 (E_RNA)
where:
Base-Base interactions energy: -27.797
where: short stacking energy: -23.306
Base-Backbone interact. energy: -0.006
local terms energy: -31.232444
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -50.895603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.895603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.895603 (E_RNA)
where:
Base-Base interactions energy: -24.368
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.000
local terms energy: -26.527634
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -40.420269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.420269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.420269 (E_RNA)
where:
Base-Base interactions energy: -15.064
where: short stacking energy: -14.849
Base-Backbone interact. energy: -0.691
local terms energy: -24.664905
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.186
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -52.377989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.377989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.377989 (E_RNA)
where:
Base-Base interactions energy: -21.958
where: short stacking energy: -21.958
Base-Backbone interact. energy: -0.000
local terms energy: -30.419938
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -48.152475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.152475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.152475 (E_RNA)
where:
Base-Base interactions energy: -20.807
where: short stacking energy: -17.155
Base-Backbone interact. energy: -0.001
local terms energy: -27.344657
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -38.835533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.835533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.835533 (E_RNA)
where:
Base-Base interactions energy: -12.032
where: short stacking energy: -12.032
Base-Backbone interact. energy: -0.021
local terms energy: -26.782214
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -37.128985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.128985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.128985 (E_RNA)
where:
Base-Base interactions energy: -16.881
where: short stacking energy: -16.881
Base-Backbone interact. energy: -0.001
local terms energy: -20.247349
where:
bonds (distance) C4'-P energy: -2.947
bonds (distance) P-C4' energy: -4.097
flat angles C4'-P-C4' energy: -4.949
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -38.005014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.005014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.005014 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -13.992
Base-Backbone interact. energy: -0.084
local terms energy: -20.760921
where:
bonds (distance) C4'-P energy: -2.023
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -2.505
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: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -34.889171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.889171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.889171 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.260
local terms energy: -18.643826
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -3.550
flat angles C4'-P-C4' energy: -4.462
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: 0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -31.512074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.512074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.512074 (E_RNA)
where:
Base-Base interactions energy: -8.617
where: short stacking energy: -8.617
Base-Backbone interact. energy: -0.036
local terms energy: -22.858610
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -4.703
flat angles P-C4'-P energy: -3.125
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -55.064062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.064062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.064062 (E_RNA)
where:
Base-Base interactions energy: -25.608
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.000
local terms energy: -29.456344
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -6.340
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -52.840729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.840729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.840729 (E_RNA)
where:
Base-Base interactions energy: -23.396
where: short stacking energy: -23.396
Base-Backbone interact. energy: -0.010
local terms energy: -29.434179
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -5.484
flat angles C4'-P-C4' energy: -7.223
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -58.378047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.378047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.378047 (E_RNA)
where:
Base-Base interactions energy: -28.732
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.002
local terms energy: -29.643320
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -7.394
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -42.455363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.455363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.455363 (E_RNA)
where:
Base-Base interactions energy: -17.012
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.000
local terms energy: -25.443812
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.436
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -52.172098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.172098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.172098 (E_RNA)
where:
Base-Base interactions energy: -23.014
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.000
local terms energy: -29.158096
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.637
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -47.878212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.878212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.878212 (E_RNA)
where:
Base-Base interactions energy: -24.237
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.000
local terms energy: -23.641349
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -2.260
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -37.245064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.245064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.245064 (E_RNA)
where:
Base-Base interactions energy: -14.331
where: short stacking energy: -10.244
Base-Backbone interact. energy: -0.234
local terms energy: -22.680034
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -1.676
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -39.919507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.919507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.919507 (E_RNA)
where:
Base-Base interactions energy: -15.272
where: short stacking energy: -12.572
Base-Backbone interact. energy: -0.024
local terms energy: -24.623391
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -40.955841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.955841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.955841 (E_RNA)
where:
Base-Base interactions energy: -13.532
where: short stacking energy: -13.532
Base-Backbone interact. energy: -0.105
local terms energy: -27.319170
where:
bonds (distance) C4'-P energy: -5.038
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.972
flat angles P-C4'-P energy: -5.130
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: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -36.046361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.046361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.046361 (E_RNA)
where:
Base-Base interactions energy: -17.379
where: short stacking energy: -17.379
Base-Backbone interact. energy: -0.002
local terms energy: -18.666005
where:
bonds (distance) C4'-P energy: -3.890
bonds (distance) P-C4' energy: -4.919
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -1.090
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: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -58.948076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.948076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.948076 (E_RNA)
where:
Base-Base interactions energy: -24.717
where: short stacking energy: -24.717
Base-Backbone interact. energy: -0.000
local terms energy: -34.230846
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -52.337377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.337377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.337377 (E_RNA)
where:
Base-Base interactions energy: -21.139
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.000
local terms energy: -31.198325
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -4.936
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: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -49.600917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.600917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.600917 (E_RNA)
where:
Base-Base interactions energy: -19.037
where: short stacking energy: -19.037
Base-Backbone interact. energy: -0.095
local terms energy: -30.469180
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -36.175144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.175144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.175144 (E_RNA)
where:
Base-Base interactions energy: -15.442
where: short stacking energy: -15.442
Base-Backbone interact. energy: -0.000
local terms energy: -20.732808
where:
bonds (distance) C4'-P energy: -4.259
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -36.236887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.236887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.236887 (E_RNA)
where:
Base-Base interactions energy: -13.090
where: short stacking energy: -13.090
Base-Backbone interact. energy: -0.024
local terms energy: -23.123570
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -1.966
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -42.549721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.549721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.549721 (E_RNA)
where:
Base-Base interactions energy: -20.275
where: short stacking energy: -16.397
Base-Backbone interact. energy: -0.069
local terms energy: -22.205611
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -2.670
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -4.046
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: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -38.131154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.131154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.131154 (E_RNA)
where:
Base-Base interactions energy: -15.997
where: short stacking energy: -15.514
Base-Backbone interact. energy: -0.084
local terms energy: -22.050158
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -36.630720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.630720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.630720 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -10.893
Base-Backbone interact. energy: -0.043
local terms energy: -24.537496
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.527
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -4.030
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: 66
Temperature: 1.300000
Total energy: -34.803651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.803651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.803651 (E_RNA)
where:
Base-Base interactions energy: -13.808
where: short stacking energy: -11.983
Base-Backbone interact. energy: -0.059
local terms energy: -20.936048
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -1.340
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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -34.512817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.512817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.512817 (E_RNA)
where:
Base-Base interactions energy: -11.694
where: short stacking energy: -11.694
Base-Backbone interact. energy: -0.160
local terms energy: -22.658862
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -52.994026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.994026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.994026 (E_RNA)
where:
Base-Base interactions energy: -18.953
where: short stacking energy: -18.953
Base-Backbone interact. energy: -0.000
local terms energy: -34.040772
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -6.299
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: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -54.596479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.596479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.596479 (E_RNA)
where:
Base-Base interactions energy: -21.828
where: short stacking energy: -21.828
Base-Backbone interact. energy: -0.000
local terms energy: -32.768242
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.238
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -43.313844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.313844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.313844 (E_RNA)
where:
Base-Base interactions energy: -14.980
where: short stacking energy: -14.980
Base-Backbone interact. energy: -0.017
local terms energy: -28.316223
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -5.283
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: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -44.549011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.549011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.549011 (E_RNA)
where:
Base-Base interactions energy: -20.673
where: short stacking energy: -20.673
Base-Backbone interact. energy: -0.000
local terms energy: -23.876237
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -4.083
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -46.666387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.666387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.666387 (E_RNA)
where:
Base-Base interactions energy: -18.272
where: short stacking energy: -17.471
Base-Backbone interact. energy: -0.085
local terms energy: -28.308793
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -1.962
tors. eta vs tors. theta energy: -6.315
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: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -43.823188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.823188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.823188 (E_RNA)
where:
Base-Base interactions energy: -17.473
where: short stacking energy: -17.473
Base-Backbone interact. energy: -0.093
local terms energy: -26.257463
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -6.296
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -37.562750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.562750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.562750 (E_RNA)
where:
Base-Base interactions energy: -16.908
where: short stacking energy: -16.908
Base-Backbone interact. energy: -0.000
local terms energy: -20.654730
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -3.694
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: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -36.079499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.079499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.079499 (E_RNA)
where:
Base-Base interactions energy: -14.386
where: short stacking energy: -10.480
Base-Backbone interact. energy: -0.000
local terms energy: -21.693526
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -32.454286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.454286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.454286 (E_RNA)
where:
Base-Base interactions energy: -10.000
where: short stacking energy: -10.000
Base-Backbone interact. energy: -0.001
local terms energy: -22.453227
where:
bonds (distance) C4'-P energy: -3.952
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -2.422
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -34.003465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.003465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.003465 (E_RNA)
where:
Base-Base interactions energy: -14.991
where: short stacking energy: -13.383
Base-Backbone interact. energy: -0.125
local terms energy: -18.886976
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -4.075
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 3.687
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: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -52.250249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.250249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.250249 (E_RNA)
where:
Base-Base interactions energy: -20.444
where: short stacking energy: -20.444
Base-Backbone interact. energy: -0.000
local terms energy: -31.806517
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -43.094055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.094055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.094055 (E_RNA)
where:
Base-Base interactions energy: -17.851
where: short stacking energy: -17.250
Base-Backbone interact. energy: -0.067
local terms energy: -25.175663
where:
bonds (distance) C4'-P energy: -4.000
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -51.951619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.951619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.951619 (E_RNA)
where:
Base-Base interactions energy: -22.209
where: short stacking energy: -22.209
Base-Backbone interact. energy: -0.031
local terms energy: -29.711103
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -43.137567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.137567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.137567 (E_RNA)
where:
Base-Base interactions energy: -17.347
where: short stacking energy: -17.347
Base-Backbone interact. energy: -0.000
local terms energy: -25.790661
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -5.706
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -45.581145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.581145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.581145 (E_RNA)
where:
Base-Base interactions energy: -20.419
where: short stacking energy: -20.419
Base-Backbone interact. energy: -0.000
local terms energy: -25.162512
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -2.710
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -37.464896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.464896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.464896 (E_RNA)
where:
Base-Base interactions energy: -16.263
where: short stacking energy: -14.947
Base-Backbone interact. energy: -0.062
local terms energy: -21.140315
where:
bonds (distance) C4'-P energy: -5.061
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -4.819
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -40.224533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.224533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.224533 (E_RNA)
where:
Base-Base interactions energy: -15.879
where: short stacking energy: -15.879
Base-Backbone interact. energy: -0.000
local terms energy: -24.345407
where:
bonds (distance) C4'-P energy: -4.651
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -4.392
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -38.339798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.339798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.339798 (E_RNA)
where:
Base-Base interactions energy: -12.442
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.166
local terms energy: -25.731159
where:
bonds (distance) C4'-P energy: -4.866
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -34.126197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.126197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.126197 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -13.660
Base-Backbone interact. energy: -0.001
local terms energy: -20.465825
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -5.021
flat angles P-C4'-P energy: -1.867
tors. eta vs tors. theta energy: -2.262
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: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -28.572499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.572499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.572499 (E_RNA)
where:
Base-Base interactions energy: -7.195
where: short stacking energy: -7.195
Base-Backbone interact. energy: -0.000
local terms energy: -21.377521
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.343
flat angles P-C4'-P energy: -3.630
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: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -49.861597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.861597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.861597 (E_RNA)
where:
Base-Base interactions energy: -21.068
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.049
local terms energy: -28.744960
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -48.478055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.478055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.478055 (E_RNA)
where:
Base-Base interactions energy: -19.116
where: short stacking energy: -19.116
Base-Backbone interact. energy: -0.006
local terms energy: -29.356325
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: -5.895
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -52.147441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.147441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.147441 (E_RNA)
where:
Base-Base interactions energy: -23.991
where: short stacking energy: -23.991
Base-Backbone interact. energy: -0.000
local terms energy: -28.156696
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.393
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -43.332960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.332960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.332960 (E_RNA)
where:
Base-Base interactions energy: -17.831
where: short stacking energy: -16.340
Base-Backbone interact. energy: -0.018
local terms energy: -25.483976
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -5.001
flat angles P-C4'-P energy: -0.844
tors. eta vs tors. theta energy: -5.256
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -49.472317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.472317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.472317 (E_RNA)
where:
Base-Base interactions energy: -20.012
where: short stacking energy: -20.012
Base-Backbone interact. energy: -0.000
local terms energy: -29.460431
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -38.686313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.686313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.686313 (E_RNA)
where:
Base-Base interactions energy: -12.252
where: short stacking energy: -12.252
Base-Backbone interact. energy: -0.373
local terms energy: -26.061008
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.072
flat angles P-C4'-P energy: -2.427
tors. eta vs tors. theta energy: -2.233
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: 69
Temperature: 1.200000
Total energy: -38.143336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.143336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.143336 (E_RNA)
where:
Base-Base interactions energy: -14.247
where: short stacking energy: -12.247
Base-Backbone interact. energy: -0.009
local terms energy: -23.887585
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -1.671
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: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -34.700763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.700763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.700763 (E_RNA)
where:
Base-Base interactions energy: -11.275
where: short stacking energy: -11.275
Base-Backbone interact. energy: -0.017
local terms energy: -23.409266
where:
bonds (distance) C4'-P energy: -6.188
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -0.784
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -36.638497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.638497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.638497 (E_RNA)
where:
Base-Base interactions energy: -11.937
where: short stacking energy: -11.937
Base-Backbone interact. energy: 0.376
local terms energy: -25.077540
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.582
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -35.335775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.335775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.335775 (E_RNA)
where:
Base-Base interactions energy: -18.645
where: short stacking energy: -18.645
Base-Backbone interact. energy: -0.068
local terms energy: -16.623231
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -1.548
flat angles P-C4'-P energy: -2.176
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -51.905146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.905146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.905146 (E_RNA)
where:
Base-Base interactions energy: -21.836
where: short stacking energy: -21.836
Base-Backbone interact. energy: -0.017
local terms energy: -30.051513
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -45.497440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.497440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.497440 (E_RNA)
where:
Base-Base interactions energy: -15.297
where: short stacking energy: -14.873
Base-Backbone interact. energy: -0.000
local terms energy: -30.200513
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -7.603
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -4.953
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -53.523384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.523384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.523384 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.000
local terms energy: -26.454017
where:
bonds (distance) C4'-P energy: -4.969
bonds (distance) P-C4' energy: -6.336
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -6.080
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: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -50.326059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.326059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.326059 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.004
local terms energy: -26.772100
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -44.996097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.996097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.996097 (E_RNA)
where:
Base-Base interactions energy: -18.930
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.001
local terms energy: -26.064574
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -43.315194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.315194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.315194 (E_RNA)
where:
Base-Base interactions energy: -15.404
where: short stacking energy: -15.404
Base-Backbone interact. energy: -0.013
local terms energy: -27.899007
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -38.423161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.423161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.423161 (E_RNA)
where:
Base-Base interactions energy: -13.751
where: short stacking energy: -13.730
Base-Backbone interact. energy: -0.000
local terms energy: -24.672090
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -2.780
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: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -35.536229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.536229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.536229 (E_RNA)
where:
Base-Base interactions energy: -8.466
where: short stacking energy: -8.466
Base-Backbone interact. energy: -0.003
local terms energy: -27.067648
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -3.086
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -33.808024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.808024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.808024 (E_RNA)
where:
Base-Base interactions energy: -9.550
where: short stacking energy: -5.837
Base-Backbone interact. energy: -0.093
local terms energy: -24.165485
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -3.989
flat angles C4'-P-C4' energy: -6.846
flat angles P-C4'-P energy: -5.460
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -35.572720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.572720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.572720 (E_RNA)
where:
Base-Base interactions energy: -13.933
where: short stacking energy: -12.268
Base-Backbone interact. energy: -0.651
local terms energy: -20.988373
where:
bonds (distance) C4'-P energy: -4.855
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -52.238533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.238533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.238533 (E_RNA)
where:
Base-Base interactions energy: -22.712
where: short stacking energy: -22.712
Base-Backbone interact. energy: -0.001
local terms energy: -29.525195
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -6.442
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -7.127
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: 71
Temperature: 0.950000
Total energy: -48.312062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.312062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.312062 (E_RNA)
where:
Base-Base interactions energy: -22.355
where: short stacking energy: -22.355
Base-Backbone interact. energy: -0.000
local terms energy: -25.957215
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -1.127
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -41.842716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.842716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.842716 (E_RNA)
where:
Base-Base interactions energy: -14.575
where: short stacking energy: -14.575
Base-Backbone interact. energy: -0.016
local terms energy: -27.251522
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -4.102
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: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -39.411569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.411569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.411569 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.671
local terms energy: -19.843845
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -42.218374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.218374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.218374 (E_RNA)
where:
Base-Base interactions energy: -16.501
where: short stacking energy: -14.969
Base-Backbone interact. energy: -0.035
local terms energy: -25.682964
where:
bonds (distance) C4'-P energy: -4.850
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -36.831511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.831511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.831511 (E_RNA)
where:
Base-Base interactions energy: -20.658
where: short stacking energy: -16.822
Base-Backbone interact. energy: -0.003
local terms energy: -16.170370
where:
bonds (distance) C4'-P energy: -3.748
bonds (distance) P-C4' energy: -3.952
flat angles C4'-P-C4' energy: -3.166
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -34.123190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.123190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.123190 (E_RNA)
where:
Base-Base interactions energy: -16.725
where: short stacking energy: -12.033
Base-Backbone interact. energy: -0.095
local terms energy: -17.302718
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -6.326
flat angles C4'-P-C4' energy: -3.233
flat angles P-C4'-P energy: -0.071
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -33.950434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.950434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.950434 (E_RNA)
where:
Base-Base interactions energy: -11.641
where: short stacking energy: -11.641
Base-Backbone interact. energy: -0.000
local terms energy: -22.309204
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -35.145849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.145849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.145849 (E_RNA)
where:
Base-Base interactions energy: -13.392
where: short stacking energy: -13.366
Base-Backbone interact. energy: -0.014
local terms energy: -21.739623
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -1.084
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -4.244
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -28.750806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.750806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.750806 (E_RNA)
where:
Base-Base interactions energy: -5.848
where: short stacking energy: -5.848
Base-Backbone interact. energy: -0.002
local terms energy: -22.900975
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -59.998070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.998070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.998070 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.000
local terms energy: -30.440040
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -51.786279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.786279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.786279 (E_RNA)
where:
Base-Base interactions energy: -21.035
where: short stacking energy: -21.035
Base-Backbone interact. energy: -0.000
local terms energy: -30.750956
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -5.762
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -7.305
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -43.759771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.759771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.759771 (E_RNA)
where:
Base-Base interactions energy: -17.172
where: short stacking energy: -17.172
Base-Backbone interact. energy: -0.003
local terms energy: -26.584388
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -46.896257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.896257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.896257 (E_RNA)
where:
Base-Base interactions energy: -20.741
where: short stacking energy: -20.741
Base-Backbone interact. energy: -0.001
local terms energy: -26.154326
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -3.881
flat angles C4'-P-C4' energy: -3.829
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -7.809
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: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -42.258713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.258713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.258713 (E_RNA)
where:
Base-Base interactions energy: -14.470
where: short stacking energy: -12.814
Base-Backbone interact. energy: -0.249
local terms energy: -27.539319
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.004
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -3.633
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: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -41.476383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.476383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.476383 (E_RNA)
where:
Base-Base interactions energy: -17.926
where: short stacking energy: -17.926
Base-Backbone interact. energy: -0.000
local terms energy: -23.550707
where:
bonds (distance) C4'-P energy: -4.659
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -2.259
flat angles P-C4'-P energy: -3.636
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: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -34.959948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959948 (E_RNA)
where:
Base-Base interactions energy: -13.489
where: short stacking energy: -13.489
Base-Backbone interact. energy: -0.080
local terms energy: -21.391475
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -7.104
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -31.561432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.561432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.561432 (E_RNA)
where:
Base-Base interactions energy: -10.522
where: short stacking energy: -10.522
Base-Backbone interact. energy: -0.005
local terms energy: -21.034382
where:
bonds (distance) C4'-P energy: -2.175
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -34.346614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.346614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.346614 (E_RNA)
where:
Base-Base interactions energy: -10.081
where: short stacking energy: -9.150
Base-Backbone interact. energy: -0.012
local terms energy: -24.253791
where:
bonds (distance) C4'-P energy: -5.115
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.917
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -33.128161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.128161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.128161 (E_RNA)
where:
Base-Base interactions energy: -10.278
where: short stacking energy: -10.278
Base-Backbone interact. energy: -0.003
local terms energy: -22.847070
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -62.000365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.000365 (E_RNA)
where:
Base-Base interactions energy: -28.710
where: short stacking energy: -28.710
Base-Backbone interact. energy: -0.000
local terms energy: -33.290046
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -54.571670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.571670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.571670 (E_RNA)
where:
Base-Base interactions energy: -23.810
where: short stacking energy: -23.810
Base-Backbone interact. energy: -0.000
local terms energy: -30.761815
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -50.326529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.326529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.326529 (E_RNA)
where:
Base-Base interactions energy: -24.469
where: short stacking energy: -24.469
Base-Backbone interact. energy: -0.000
local terms energy: -25.857053
where:
bonds (distance) C4'-P energy: -4.598
bonds (distance) P-C4' energy: -4.008
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -7.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -41.573221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573221 (E_RNA)
where:
Base-Base interactions energy: -16.450
where: short stacking energy: -16.450
Base-Backbone interact. energy: -0.096
local terms energy: -25.027383
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -1.966
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: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -37.573157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.573157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.573157 (E_RNA)
where:
Base-Base interactions energy: -12.288
where: short stacking energy: -12.288
Base-Backbone interact. energy: -0.012
local terms energy: -25.273266
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -2.259
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -38.051139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.051139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.051139 (E_RNA)
where:
Base-Base interactions energy: -14.040
where: short stacking energy: -14.040
Base-Backbone interact. energy: -0.003
local terms energy: -24.008592
where:
bonds (distance) C4'-P energy: -4.785
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -0.951
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -41.415101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.415101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.415101 (E_RNA)
where:
Base-Base interactions energy: -19.414
where: short stacking energy: -18.299
Base-Backbone interact. energy: -0.065
local terms energy: -21.935770
where:
bonds (distance) C4'-P energy: -1.220
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -44.911410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.911410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.911410 (E_RNA)
where:
Base-Base interactions energy: -20.042
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.001
local terms energy: -24.868669
where:
bonds (distance) C4'-P energy: -4.597
bonds (distance) P-C4' energy: -4.185
flat angles C4'-P-C4' energy: -4.815
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -38.007223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.007223 (E_RNA)
where:
Base-Base interactions energy: -11.745
where: short stacking energy: -11.492
Base-Backbone interact. energy: 0.417
local terms energy: -26.679760
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.135
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -32.932698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.932698 (E_RNA)
where:
Base-Base interactions energy: -8.596
where: short stacking energy: -8.596
Base-Backbone interact. energy: -0.001
local terms energy: -24.335944
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -0.274
tors. eta vs tors. theta energy: -3.365
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: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -57.084091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.084091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.084091 (E_RNA)
where:
Base-Base interactions energy: -30.579
where: short stacking energy: -23.418
Base-Backbone interact. energy: -0.000
local terms energy: -26.504651
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -47.637840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.637840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.637840 (E_RNA)
where:
Base-Base interactions energy: -19.888
where: short stacking energy: -19.888
Base-Backbone interact. energy: -0.006
local terms energy: -27.743664
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.991
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -43.357969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.357969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.357969 (E_RNA)
where:
Base-Base interactions energy: -16.790
where: short stacking energy: -16.790
Base-Backbone interact. energy: -0.000
local terms energy: -26.568300
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -3.335
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: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -42.179795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.179795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.179795 (E_RNA)
where:
Base-Base interactions energy: -15.628
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.000
local terms energy: -26.551868
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -40.269711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.269711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.269711 (E_RNA)
where:
Base-Base interactions energy: -11.965
where: short stacking energy: -11.046
Base-Backbone interact. energy: -0.094
local terms energy: -28.210256
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -2.531
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: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -40.457768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.457768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.457768 (E_RNA)
where:
Base-Base interactions energy: -14.665
where: short stacking energy: -14.665
Base-Backbone interact. energy: -0.035
local terms energy: -25.758009
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -4.737
flat angles C4'-P-C4' energy: -5.755
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -37.027222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.027222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.027222 (E_RNA)
where:
Base-Base interactions energy: -13.223
where: short stacking energy: -13.223
Base-Backbone interact. energy: -0.082
local terms energy: -23.722220
where:
bonds (distance) C4'-P energy: -4.308
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -38.700587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.700587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.700587 (E_RNA)
where:
Base-Base interactions energy: -10.807
where: short stacking energy: -10.807
Base-Backbone interact. energy: -0.115
local terms energy: -27.778872
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -32.045729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.045729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.045729 (E_RNA)
where:
Base-Base interactions energy: -7.209
where: short stacking energy: -7.209
Base-Backbone interact. energy: -0.007
local terms energy: -24.829883
where:
bonds (distance) C4'-P energy: -4.800
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.344
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -32.715347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.715347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.715347 (E_RNA)
where:
Base-Base interactions energy: -11.530
where: short stacking energy: -11.530
Base-Backbone interact. energy: -0.216
local terms energy: -20.968703
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -5.157
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -64.094237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.094237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.094237 (E_RNA)
where:
Base-Base interactions energy: -36.997
where: short stacking energy: -24.693
Base-Backbone interact. energy: -0.599
local terms energy: -26.498896
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -5.863
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -54.031211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.031211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.031211 (E_RNA)
where:
Base-Base interactions energy: -23.667
where: short stacking energy: -23.667
Base-Backbone interact. energy: -0.000
local terms energy: -30.364058
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -48.615658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.615658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.615658 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.000
local terms energy: -24.353918
where:
bonds (distance) C4'-P energy: -1.915
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -5.963
flat angles P-C4'-P energy: -4.571
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -45.299154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.299154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.299154 (E_RNA)
where:
Base-Base interactions energy: -16.392
where: short stacking energy: -16.392
Base-Backbone interact. energy: -0.000
local terms energy: -28.907050
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -37.866815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.866815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.866815 (E_RNA)
where:
Base-Base interactions energy: -10.362
where: short stacking energy: -10.362
Base-Backbone interact. energy: -0.153
local terms energy: -27.351272
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.333
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -43.993069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.993069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.993069 (E_RNA)
where:
Base-Base interactions energy: -17.308
where: short stacking energy: -17.308
Base-Backbone interact. energy: -0.000
local terms energy: -26.684871
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -4.952
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -39.358062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.358062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.358062 (E_RNA)
where:
Base-Base interactions energy: -15.141
where: short stacking energy: -15.141
Base-Backbone interact. energy: -0.001
local terms energy: -24.216384
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -4.268
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -38.203937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.203937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.203937 (E_RNA)
where:
Base-Base interactions energy: -14.635
where: short stacking energy: -14.635
Base-Backbone interact. energy: -0.028
local terms energy: -23.540799
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.138
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -30.233626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.233626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.233626 (E_RNA)
where:
Base-Base interactions energy: -5.888
where: short stacking energy: -5.888
Base-Backbone interact. energy: -0.014
local terms energy: -24.331661
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.012
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -33.832790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.832790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.832790 (E_RNA)
where:
Base-Base interactions energy: -8.466
where: short stacking energy: -4.464
Base-Backbone interact. energy: -0.179
local terms energy: -25.187649
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.025
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: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -43.847142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.847142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.847142 (E_RNA)
where:
Base-Base interactions energy: -20.954
where: short stacking energy: -20.954
Base-Backbone interact. energy: -0.016
local terms energy: -22.877459
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -42.888079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.888079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.888079 (E_RNA)
where:
Base-Base interactions energy: -16.790
where: short stacking energy: -16.790
Base-Backbone interact. energy: -0.060
local terms energy: -26.037463
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -4.050
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -46.044114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.044114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.044114 (E_RNA)
where:
Base-Base interactions energy: -18.946
where: short stacking energy: -18.946
Base-Backbone interact. energy: -0.000
local terms energy: -27.097798
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.296
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -45.095891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.095891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.095891 (E_RNA)
where:
Base-Base interactions energy: -19.902
where: short stacking energy: -19.902
Base-Backbone interact. energy: -0.000
local terms energy: -25.194010
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -3.260
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: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -43.223321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.223321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.223321 (E_RNA)
where:
Base-Base interactions energy: -16.515
where: short stacking energy: -16.515
Base-Backbone interact. energy: -0.003
local terms energy: -26.705221
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -3.679
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: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -41.001419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.001419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.001419 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.093
local terms energy: -25.780533
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -34.486736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.486736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.486736 (E_RNA)
where:
Base-Base interactions energy: -11.157
where: short stacking energy: -11.157
Base-Backbone interact. energy: -0.097
local terms energy: -23.232540
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -41.718873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.718873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.718873 (E_RNA)
where:
Base-Base interactions energy: -19.317
where: short stacking energy: -19.317
Base-Backbone interact. energy: -0.000
local terms energy: -22.402332
where:
bonds (distance) C4'-P energy: -5.587
bonds (distance) P-C4' energy: -4.737
flat angles C4'-P-C4' energy: -6.055
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -32.860930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.860930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.860930 (E_RNA)
where:
Base-Base interactions energy: -11.291
where: short stacking energy: -11.291
Base-Backbone interact. energy: -0.014
local terms energy: -21.556122
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -2.896
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -31.277353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.277353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.277353 (E_RNA)
where:
Base-Base interactions energy: -11.129
where: short stacking energy: -11.129
Base-Backbone interact. energy: -0.135
local terms energy: -20.013447
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -3.153
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -44.702787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.702787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.702787 (E_RNA)
where:
Base-Base interactions energy: -20.436
where: short stacking energy: -20.436
Base-Backbone interact. energy: -0.033
local terms energy: -24.234619
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -57.929850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.929850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.929850 (E_RNA)
where:
Base-Base interactions energy: -26.173
where: short stacking energy: -26.173
Base-Backbone interact. energy: -0.000
local terms energy: -31.757333
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -46.378546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.378546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.378546 (E_RNA)
where:
Base-Base interactions energy: -17.363
where: short stacking energy: -17.363
Base-Backbone interact. energy: -0.069
local terms energy: -28.946329
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -53.735777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.735777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.735777 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -26.545
Base-Backbone interact. energy: -0.000
local terms energy: -27.191165
where:
bonds (distance) C4'-P energy: -4.734
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -5.387
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -8.179
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: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -46.653859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.653859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.653859 (E_RNA)
where:
Base-Base interactions energy: -19.144
where: short stacking energy: -19.129
Base-Backbone interact. energy: -0.000
local terms energy: -27.510024
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -42.341826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.341826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.341826 (E_RNA)
where:
Base-Base interactions energy: -16.489
where: short stacking energy: -16.275
Base-Backbone interact. energy: -0.063
local terms energy: -25.789213
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -4.687
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: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -44.526304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.526304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.526304 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -17.858
Base-Backbone interact. energy: -0.000
local terms energy: -26.668153
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -4.181
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: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -36.521341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.521341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.521341 (E_RNA)
where:
Base-Base interactions energy: -13.552
where: short stacking energy: -13.552
Base-Backbone interact. energy: -0.000
local terms energy: -22.969112
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -3.982
flat angles P-C4'-P energy: -1.909
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: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -40.081844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.081844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.081844 (E_RNA)
where:
Base-Base interactions energy: -11.233
where: short stacking energy: -11.233
Base-Backbone interact. energy: -0.037
local terms energy: -28.811312
where:
bonds (distance) C4'-P energy: -6.191
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -40.750329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.750329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.750329 (E_RNA)
where:
Base-Base interactions energy: -11.711
where: short stacking energy: -11.711
Base-Backbone interact. energy: -0.000
local terms energy: -29.039621
where:
bonds (distance) C4'-P energy: -4.449
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -4.868
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -50.885788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.885788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.885788 (E_RNA)
where:
Base-Base interactions energy: -22.989
where: short stacking energy: -19.942
Base-Backbone interact. energy: -0.043
local terms energy: -27.853582
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -3.930
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -48.620837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.620837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.620837 (E_RNA)
where:
Base-Base interactions energy: -20.758
where: short stacking energy: -20.758
Base-Backbone interact. energy: -0.055
local terms energy: -27.807927
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -3.146
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: 78
Temperature: 1.000000
Total energy: -39.975008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.975008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.975008 (E_RNA)
where:
Base-Base interactions energy: -11.925
where: short stacking energy: -11.925
Base-Backbone interact. energy: -0.037
local terms energy: -28.012764
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -49.946764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.946764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.946764 (E_RNA)
where:
Base-Base interactions energy: -22.077
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.000
local terms energy: -27.869766
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -41.848520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.848520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.848520 (E_RNA)
where:
Base-Base interactions energy: -16.695
where: short stacking energy: -15.414
Base-Backbone interact. energy: -0.238
local terms energy: -24.916136
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -4.409
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -45.854927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.854927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.854927 (E_RNA)
where:
Base-Base interactions energy: -20.806
where: short stacking energy: -18.467
Base-Backbone interact. energy: -0.000
local terms energy: -25.048669
where:
bonds (distance) C4'-P energy: -3.115
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -39.362294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.362294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.362294 (E_RNA)
where:
Base-Base interactions energy: -14.622
where: short stacking energy: -14.622
Base-Backbone interact. energy: -0.000
local terms energy: -24.739756
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -37.396298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.396298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.396298 (E_RNA)
where:
Base-Base interactions energy: -15.573
where: short stacking energy: -13.753
Base-Backbone interact. energy: 0.136
local terms energy: -21.958507
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -5.188
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -41.876803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.876803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.876803 (E_RNA)
where:
Base-Base interactions energy: -17.685
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.001
local terms energy: -24.190850
where:
bonds (distance) C4'-P energy: -6.336
bonds (distance) P-C4' energy: -3.435
flat angles C4'-P-C4' energy: -6.161
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -40.521177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.521177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.521177 (E_RNA)
where:
Base-Base interactions energy: -16.443
where: short stacking energy: -16.443
Base-Backbone interact. energy: -0.002
local terms energy: -24.075704
where:
bonds (distance) C4'-P energy: -2.727
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.418
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -55.064005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.064005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.064005 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.599
local terms energy: -26.862857
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -5.790
flat angles C4'-P-C4' energy: -5.890
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -47.544896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.544896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.544896 (E_RNA)
where:
Base-Base interactions energy: -20.100
where: short stacking energy: -20.100
Base-Backbone interact. energy: -0.020
local terms energy: -27.425005
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -4.553
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: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -43.849437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.849437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.849437 (E_RNA)
where:
Base-Base interactions energy: -14.736
where: short stacking energy: -14.736
Base-Backbone interact. energy: -0.001
local terms energy: -29.113043
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -42.694270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.694270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.694270 (E_RNA)
where:
Base-Base interactions energy: -16.031
where: short stacking energy: -15.398
Base-Backbone interact. energy: -0.000
local terms energy: -26.662857
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -39.015229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.015229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.015229 (E_RNA)
where:
Base-Base interactions energy: -15.480
where: short stacking energy: -12.636
Base-Backbone interact. energy: -0.097
local terms energy: -23.438021
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -0.957
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -46.922267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.922267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.922267 (E_RNA)
where:
Base-Base interactions energy: -20.836
where: short stacking energy: -20.836
Base-Backbone interact. energy: -0.000
local terms energy: -26.085892
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -1.914
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -43.815030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.815030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.815030 (E_RNA)
where:
Base-Base interactions energy: -15.723
where: short stacking energy: -15.723
Base-Backbone interact. energy: -0.004
local terms energy: -28.088240
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.065
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -32.576203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.576203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.576203 (E_RNA)
where:
Base-Base interactions energy: -7.264
where: short stacking energy: -4.535
Base-Backbone interact. energy: -0.208
local terms energy: -25.104209
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -0.729
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: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -34.109030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.109030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.109030 (E_RNA)
where:
Base-Base interactions energy: -10.104
where: short stacking energy: -9.368
Base-Backbone interact. energy: -0.194
local terms energy: -23.810311
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: -5.042
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: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -38.200655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.200655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.200655 (E_RNA)
where:
Base-Base interactions energy: -14.682
where: short stacking energy: -14.682
Base-Backbone interact. energy: -0.007
local terms energy: -23.511831
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -3.984
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -51.968159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.968159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.968159 (E_RNA)
where:
Base-Base interactions energy: -23.759
where: short stacking energy: -23.759
Base-Backbone interact. energy: -0.000
local terms energy: -28.209188
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -0.670
tors. eta vs tors. theta energy: -6.360
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -53.362566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.362566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.362566 (E_RNA)
where:
Base-Base interactions energy: -25.914
where: short stacking energy: -25.914
Base-Backbone interact. energy: -0.000
local terms energy: -27.448926
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.190
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -44.159496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.159496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.159496 (E_RNA)
where:
Base-Base interactions energy: -15.518
where: short stacking energy: -15.518
Base-Backbone interact. energy: -0.113
local terms energy: -28.527868
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.162
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -44.859726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.859726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.859726 (E_RNA)
where:
Base-Base interactions energy: -18.259
where: short stacking energy: -18.259
Base-Backbone interact. energy: -0.002
local terms energy: -26.599058
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -5.302
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -40.481957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.481957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.481957 (E_RNA)
where:
Base-Base interactions energy: -16.974
where: short stacking energy: -16.974
Base-Backbone interact. energy: -0.003
local terms energy: -23.505602
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -0.525
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: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -47.292981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.292981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.292981 (E_RNA)
where:
Base-Base interactions energy: -19.143
where: short stacking energy: -19.143
Base-Backbone interact. energy: -0.044
local terms energy: -28.105968
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -33.308715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.308715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.308715 (E_RNA)
where:
Base-Base interactions energy: -13.612
where: short stacking energy: -13.612
Base-Backbone interact. energy: -0.184
local terms energy: -19.512270
where:
bonds (distance) C4'-P energy: -5.404
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -40.287444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.287444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.287444 (E_RNA)
where:
Base-Base interactions energy: -13.703
where: short stacking energy: -13.183
Base-Backbone interact. energy: -0.068
local terms energy: -26.515937
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -4.474
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -38.250661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.250661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.250661 (E_RNA)
where:
Base-Base interactions energy: -15.681
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.045
local terms energy: -22.524457
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -1.630
tors. eta vs tors. theta energy: -3.503
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -34.187797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.187797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.187797 (E_RNA)
where:
Base-Base interactions energy: -13.066
where: short stacking energy: -13.066
Base-Backbone interact. energy: -0.000
local terms energy: -21.121661
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -0.440
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -5.786
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -48.667954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.667954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.667954 (E_RNA)
where:
Base-Base interactions energy: -21.568
where: short stacking energy: -21.117
Base-Backbone interact. energy: -0.001
local terms energy: -27.098813
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -4.465
flat angles C4'-P-C4' energy: -4.874
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -55.440359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.440359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.440359 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.000
local terms energy: -28.298491
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -44.113061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.113061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.113061 (E_RNA)
where:
Base-Base interactions energy: -18.005
where: short stacking energy: -18.005
Base-Backbone interact. energy: -0.062
local terms energy: -26.046267
where:
bonds (distance) C4'-P energy: -5.720
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -45.023922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.023922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.023922 (E_RNA)
where:
Base-Base interactions energy: -17.772
where: short stacking energy: -17.772
Base-Backbone interact. energy: -0.002
local terms energy: -27.249251
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -3.839
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -41.700256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.700256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.700256 (E_RNA)
where:
Base-Base interactions energy: -19.227
where: short stacking energy: -19.227
Base-Backbone interact. energy: -0.048
local terms energy: -22.424554
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -1.442
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -41.328575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.328575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.328575 (E_RNA)
where:
Base-Base interactions energy: -16.190
where: short stacking energy: -16.190
Base-Backbone interact. energy: -0.002
local terms energy: -25.137237
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -5.585
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -1.522
tors. eta vs tors. theta energy: -5.996
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: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -46.964394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.964394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.964394 (E_RNA)
where:
Base-Base interactions energy: -18.670
where: short stacking energy: -18.670
Base-Backbone interact. energy: -0.000
local terms energy: -28.294405
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -6.072
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -40.717456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.717456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.717456 (E_RNA)
where:
Base-Base interactions energy: -19.113
where: short stacking energy: -19.113
Base-Backbone interact. energy: -0.000
local terms energy: -21.604045
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -2.544
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -34.259825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.259825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.259825 (E_RNA)
where:
Base-Base interactions energy: -10.072
where: short stacking energy: -10.072
Base-Backbone interact. energy: -0.006
local terms energy: -24.181554
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -33.170854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.170854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.170854 (E_RNA)
where:
Base-Base interactions energy: -8.405
where: short stacking energy: -8.405
Base-Backbone interact. energy: -0.082
local terms energy: -24.684042
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -3.356
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -49.478449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.478449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.478449 (E_RNA)
where:
Base-Base interactions energy: -21.789
where: short stacking energy: -21.789
Base-Backbone interact. energy: -0.000
local terms energy: -27.689513
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -5.645
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: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -48.170214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.170214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.170214 (E_RNA)
where:
Base-Base interactions energy: -21.212
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.072
local terms energy: -26.886398
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -47.937514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.937514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.937514 (E_RNA)
where:
Base-Base interactions energy: -19.678
where: short stacking energy: -19.678
Base-Backbone interact. energy: -0.009
local terms energy: -28.250452
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -40.651396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.651396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.651396 (E_RNA)
where:
Base-Base interactions energy: -13.770
where: short stacking energy: -13.770
Base-Backbone interact. energy: -0.000
local terms energy: -26.880959
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -40.977580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.977580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.977580 (E_RNA)
where:
Base-Base interactions energy: -15.876
where: short stacking energy: -14.057
Base-Backbone interact. energy: -0.000
local terms energy: -25.101217
where:
bonds (distance) C4'-P energy: -3.141
bonds (distance) P-C4' energy: -5.946
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -42.635268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.635268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.635268 (E_RNA)
where:
Base-Base interactions energy: -19.636
where: short stacking energy: -19.636
Base-Backbone interact. energy: -0.000
local terms energy: -22.998468
where:
bonds (distance) C4'-P energy: -5.124
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -0.198
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -33.228419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.228419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.228419 (E_RNA)
where:
Base-Base interactions energy: -8.743
where: short stacking energy: -8.132
Base-Backbone interact. energy: -0.003
local terms energy: -24.482430
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -1.901
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: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -42.212024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.212024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.212024 (E_RNA)
where:
Base-Base interactions energy: -18.283
where: short stacking energy: -18.283
Base-Backbone interact. energy: -0.000
local terms energy: -23.929303
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -3.438
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -3.834
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: 82
Temperature: 1.300000
Total energy: -38.281998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.281998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.281998 (E_RNA)
where:
Base-Base interactions energy: -15.115
where: short stacking energy: -13.254
Base-Backbone interact. energy: -0.001
local terms energy: -23.166079
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -4.780
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: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -47.408426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.408426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.408426 (E_RNA)
where:
Base-Base interactions energy: -21.886
where: short stacking energy: -21.886
Base-Backbone interact. energy: -0.045
local terms energy: -25.477601
where:
bonds (distance) C4'-P energy: -2.184
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -46.109879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.109879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.109879 (E_RNA)
where:
Base-Base interactions energy: -18.044
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.046
local terms energy: -28.019800
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -56.175535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.175535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.175535 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.000
local terms energy: -27.241556
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -3.646
flat angles C4'-P-C4' energy: -7.005
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -39.111761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.111761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.111761 (E_RNA)
where:
Base-Base interactions energy: -15.224
where: short stacking energy: -15.224
Base-Backbone interact. energy: -0.001
local terms energy: -23.886996
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.577
flat angles P-C4'-P energy: -5.222
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: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -50.115469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.115469 (E_RNA)
where:
Base-Base interactions energy: -20.193
where: short stacking energy: -19.165
Base-Backbone interact. energy: -0.004
local terms energy: -29.919118
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -6.528
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -40.326685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.326685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.326685 (E_RNA)
where:
Base-Base interactions energy: -13.423
where: short stacking energy: -13.400
Base-Backbone interact. energy: -0.000
local terms energy: -26.903744
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -5.219
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: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -48.410069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.410069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.410069 (E_RNA)
where:
Base-Base interactions energy: -21.468
where: short stacking energy: -19.278
Base-Backbone interact. energy: -0.001
local terms energy: -26.940811
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -36.466470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.466470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.466470 (E_RNA)
where:
Base-Base interactions energy: -12.742
where: short stacking energy: -12.742
Base-Backbone interact. energy: -0.000
local terms energy: -23.724384
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -2.719
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -34.177633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.177633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.177633 (E_RNA)
where:
Base-Base interactions energy: -13.360
where: short stacking energy: -12.758
Base-Backbone interact. energy: -0.074
local terms energy: -20.743365
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -5.075
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -40.688089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.688089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.688089 (E_RNA)
where:
Base-Base interactions energy: -14.958
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.003
local terms energy: -25.727221
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.254
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -34.963574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.963574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.963574 (E_RNA)
where:
Base-Base interactions energy: -9.736
where: short stacking energy: -8.005
Base-Backbone interact. energy: -0.095
local terms energy: -25.132411
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -5.044
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: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -55.968279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.968279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.968279 (E_RNA)
where:
Base-Base interactions energy: -25.483
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.001
local terms energy: -30.483988
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.033
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -49.670560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.670560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.670560 (E_RNA)
where:
Base-Base interactions energy: -17.692
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.506
local terms energy: -31.472689
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -40.602314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.602314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.602314 (E_RNA)
where:
Base-Base interactions energy: -14.216
where: short stacking energy: -11.472
Base-Backbone interact. energy: -0.002
local terms energy: -26.383880
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -51.497357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.497357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.497357 (E_RNA)
where:
Base-Base interactions energy: -23.636
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.079
local terms energy: -27.781964
where:
bonds (distance) C4'-P energy: -5.271
bonds (distance) P-C4' energy: -5.713
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -36.044084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.044084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.044084 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.002
local terms energy: -23.268096
where:
bonds (distance) C4'-P energy: -4.137
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -2.743
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -4.277
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: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -39.358834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.358834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.358834 (E_RNA)
where:
Base-Base interactions energy: -14.399
where: short stacking energy: -11.774
Base-Backbone interact. energy: -0.001
local terms energy: -24.958498
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -3.774
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -36.877539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.877539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.877539 (E_RNA)
where:
Base-Base interactions energy: -11.242
where: short stacking energy: -11.242
Base-Backbone interact. energy: -0.020
local terms energy: -25.615349
where:
bonds (distance) C4'-P energy: -3.256
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -2.581
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: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -41.813606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.813606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.813606 (E_RNA)
where:
Base-Base interactions energy: -16.351
where: short stacking energy: -16.351
Base-Backbone interact. energy: -0.000
local terms energy: -25.463007
where:
bonds (distance) C4'-P energy: -4.925
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -43.320553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.320553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.320553 (E_RNA)
where:
Base-Base interactions energy: -19.914
where: short stacking energy: -19.914
Base-Backbone interact. energy: -0.000
local terms energy: -23.406696
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -2.833
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -32.203817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.203817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.203817 (E_RNA)
where:
Base-Base interactions energy: -12.014
where: short stacking energy: -12.014
Base-Backbone interact. energy: -0.062
local terms energy: -20.127147
where:
bonds (distance) C4'-P energy: -4.377
bonds (distance) P-C4' energy: -5.155
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -47.173064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.173064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.173064 (E_RNA)
where:
Base-Base interactions energy: -18.854
where: short stacking energy: -17.124
Base-Backbone interact. energy: -0.000
local terms energy: -28.318697
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: -4.006
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -43.688065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.688065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.688065 (E_RNA)
where:
Base-Base interactions energy: -21.644
where: short stacking energy: -20.244
Base-Backbone interact. energy: -0.047
local terms energy: -21.997373
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -4.075
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -2.953
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: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -52.088248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.088248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.088248 (E_RNA)
where:
Base-Base interactions energy: -22.344
where: short stacking energy: -22.344
Base-Backbone interact. energy: -0.000
local terms energy: -29.744332
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -7.083
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -53.038912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.038912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.038912 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -23.332
Base-Backbone interact. energy: -0.000
local terms energy: -29.707217
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.488
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -35.881859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.881859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.881859 (E_RNA)
where:
Base-Base interactions energy: -13.049
where: short stacking energy: -13.049
Base-Backbone interact. energy: -0.032
local terms energy: -22.801493
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -46.463471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.463471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.463471 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -19.565
Base-Backbone interact. energy: -0.006
local terms energy: -26.893291
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -4.255
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: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -41.990006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.990006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.990006 (E_RNA)
where:
Base-Base interactions energy: -16.976
where: short stacking energy: -16.976
Base-Backbone interact. energy: -0.001
local terms energy: -25.013168
where:
bonds (distance) C4'-P energy: -4.072
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -32.095049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.095049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.095049 (E_RNA)
where:
Base-Base interactions energy: -8.794
where: short stacking energy: -9.072
Base-Backbone interact. energy: -0.050
local terms energy: -23.250920
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -2.858
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: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -35.388149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.388149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.388149 (E_RNA)
where:
Base-Base interactions energy: -10.935
where: short stacking energy: -10.935
Base-Backbone interact. energy: 1.561
local terms energy: -26.014449
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -6.728
flat angles P-C4'-P energy: -2.701
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -40.329471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.329471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.329471 (E_RNA)
where:
Base-Base interactions energy: -13.986
where: short stacking energy: -13.986
Base-Backbone interact. energy: -0.001
local terms energy: -26.343075
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -48.507691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.507691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.507691 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.055
local terms energy: -25.504061
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -60.294473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.294473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.294473 (E_RNA)
where:
Base-Base interactions energy: -27.435
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.000
local terms energy: -32.859601
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -44.994982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.994982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.994982 (E_RNA)
where:
Base-Base interactions energy: -20.007
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.008
local terms energy: -24.979395
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -42.349552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.349552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.349552 (E_RNA)
where:
Base-Base interactions energy: -14.532
where: short stacking energy: -14.532
Base-Backbone interact. energy: -0.030
local terms energy: -27.787251
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -42.481738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.481738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.481738 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -19.565
Base-Backbone interact. energy: -0.000
local terms energy: -22.916210
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -3.913
flat angles C4'-P-C4' energy: -3.160
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -39.343418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.343418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.343418 (E_RNA)
where:
Base-Base interactions energy: -14.868
where: short stacking energy: -14.015
Base-Backbone interact. energy: -0.180
local terms energy: -24.295886
where:
bonds (distance) C4'-P energy: -3.587
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -40.406181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.406181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.406181 (E_RNA)
where:
Base-Base interactions energy: -17.247
where: short stacking energy: -17.247
Base-Backbone interact. energy: -0.000
local terms energy: -23.158665
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -43.523654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.523654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.523654 (E_RNA)
where:
Base-Base interactions energy: -17.349
where: short stacking energy: -13.787
Base-Backbone interact. energy: -0.001
local terms energy: -26.173379
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -36.449429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.449429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.449429 (E_RNA)
where:
Base-Base interactions energy: -14.548
where: short stacking energy: -14.548
Base-Backbone interact. energy: -0.000
local terms energy: -21.900572
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -3.435
flat angles C4'-P-C4' energy: -3.888
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -36.072312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.072312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.072312 (E_RNA)
where:
Base-Base interactions energy: -10.050
where: short stacking energy: -10.050
Base-Backbone interact. energy: -0.000
local terms energy: -26.022516
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -59.937197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.937197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.937197 (E_RNA)
where:
Base-Base interactions energy: -25.725
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.000
local terms energy: -34.211957
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -49.326179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.326179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.326179 (E_RNA)
where:
Base-Base interactions energy: -17.932
where: short stacking energy: -17.932
Base-Backbone interact. energy: -0.012
local terms energy: -31.381758
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -48.221340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.221340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.221340 (E_RNA)
where:
Base-Base interactions energy: -20.916
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.002
local terms energy: -27.303036
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -41.071117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.071117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.071117 (E_RNA)
where:
Base-Base interactions energy: -16.876
where: short stacking energy: -16.876
Base-Backbone interact. energy: -0.024
local terms energy: -24.171352
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -5.802
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -41.440094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.440094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.440094 (E_RNA)
where:
Base-Base interactions energy: -15.609
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.005
local terms energy: -25.825937
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -2.598
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -41.934470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.934470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.934470 (E_RNA)
where:
Base-Base interactions energy: -16.157
where: short stacking energy: -16.157
Base-Backbone interact. energy: -0.000
local terms energy: -25.777901
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -2.551
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: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -38.398270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.398270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.398270 (E_RNA)
where:
Base-Base interactions energy: -15.856
where: short stacking energy: -15.856
Base-Backbone interact. energy: -0.130
local terms energy: -22.411724
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.399
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -35.725612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.725612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.725612 (E_RNA)
where:
Base-Base interactions energy: -12.207
where: short stacking energy: -11.159
Base-Backbone interact. energy: 0.569
local terms energy: -24.087505
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: 0.581
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -38.583473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.583473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.583473 (E_RNA)
where:
Base-Base interactions energy: -15.609
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.000
local terms energy: -22.973916
where:
bonds (distance) C4'-P energy: -4.308
bonds (distance) P-C4' energy: -4.504
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -3.679
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: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -40.261414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.261414 (E_RNA)
where:
Base-Base interactions energy: -17.030
where: short stacking energy: -16.248
Base-Backbone interact. energy: -0.080
local terms energy: -23.151137
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.215
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -2.727
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: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -51.094528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.094528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.094528 (E_RNA)
where:
Base-Base interactions energy: -24.042
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.000
local terms energy: -27.052226
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -47.299189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.299189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.299189 (E_RNA)
where:
Base-Base interactions energy: -19.303
where: short stacking energy: -18.549
Base-Backbone interact. energy: -0.054
local terms energy: -27.941965
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.862
flat angles P-C4'-P energy: -5.670
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -43.208909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.208909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.208909 (E_RNA)
where:
Base-Base interactions energy: -16.801
where: short stacking energy: -16.365
Base-Backbone interact. energy: -0.027
local terms energy: -26.380865
where:
bonds (distance) C4'-P energy: -5.302
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -39.099676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.099676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.099676 (E_RNA)
where:
Base-Base interactions energy: -15.270
where: short stacking energy: -12.098
Base-Backbone interact. energy: -0.101
local terms energy: -23.728874
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -3.693
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -41.242728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.242728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.242728 (E_RNA)
where:
Base-Base interactions energy: -16.989
where: short stacking energy: -16.989
Base-Backbone interact. energy: -0.000
local terms energy: -24.253347
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -3.124
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: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -46.672664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.672664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.672664 (E_RNA)
where:
Base-Base interactions energy: -19.863
where: short stacking energy: -19.863
Base-Backbone interact. energy: -0.076
local terms energy: -26.733641
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -2.318
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -39.456618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.456618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.456618 (E_RNA)
where:
Base-Base interactions energy: -14.673
where: short stacking energy: -14.673
Base-Backbone interact. energy: -0.030
local terms energy: -24.753209
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -2.638
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: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -39.379989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.379989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.379989 (E_RNA)
where:
Base-Base interactions energy: -16.705
where: short stacking energy: -13.923
Base-Backbone interact. energy: -0.000
local terms energy: -22.674665
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -4.150
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -1.513
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: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -32.480103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.480103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.480103 (E_RNA)
where:
Base-Base interactions energy: -9.970
where: short stacking energy: -9.970
Base-Backbone interact. energy: -0.000
local terms energy: -22.509643
where:
bonds (distance) C4'-P energy: -2.287
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -40.543741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.543741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.543741 (E_RNA)
where:
Base-Base interactions energy: -14.397
where: short stacking energy: -14.397
Base-Backbone interact. energy: -0.000
local terms energy: -26.146961
where:
bonds (distance) C4'-P energy: -3.509
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.104
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -4.778
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -48.660101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.660101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.660101 (E_RNA)
where:
Base-Base interactions energy: -18.994
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.080
local terms energy: -29.586761
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.762
flat angles C4'-P-C4' energy: -6.595
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -50.698179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.698179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.698179 (E_RNA)
where:
Base-Base interactions energy: -22.268
where: short stacking energy: -17.902
Base-Backbone interact. energy: -0.410
local terms energy: -28.020277
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -59.295010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.295010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.295010 (E_RNA)
where:
Base-Base interactions energy: -26.035
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.000
local terms energy: -33.259675
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.350
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -41.774011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.774011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.774011 (E_RNA)
where:
Base-Base interactions energy: -15.377
where: short stacking energy: -15.377
Base-Backbone interact. energy: -0.004
local terms energy: -26.392995
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -46.132855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.132855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.132855 (E_RNA)
where:
Base-Base interactions energy: -22.004
where: short stacking energy: -17.146
Base-Backbone interact. energy: -0.000
local terms energy: -24.128892
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -5.882
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -39.553508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.553508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.553508 (E_RNA)
where:
Base-Base interactions energy: -18.086
where: short stacking energy: -18.086
Base-Backbone interact. energy: -0.000
local terms energy: -21.467068
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -4.023
flat angles P-C4'-P energy: -2.176
tors. eta vs tors. theta energy: -2.870
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: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -38.060084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.060084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.060084 (E_RNA)
where:
Base-Base interactions energy: -15.737
where: short stacking energy: -15.737
Base-Backbone interact. energy: -0.005
local terms energy: -22.317850
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -5.248
flat angles P-C4'-P energy: -1.751
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -34.896604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.896604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.896604 (E_RNA)
where:
Base-Base interactions energy: -11.283
where: short stacking energy: -11.283
Base-Backbone interact. energy: -0.045
local terms energy: -23.568998
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -34.297476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.297476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.297476 (E_RNA)
where:
Base-Base interactions energy: -11.031
where: short stacking energy: -11.031
Base-Backbone interact. energy: -0.003
local terms energy: -23.263128
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -37.007786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.007786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.007786 (E_RNA)
where:
Base-Base interactions energy: -11.930
where: short stacking energy: -11.930
Base-Backbone interact. energy: -0.137
local terms energy: -24.940112
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -2.079
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -50.886887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.886887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.886887 (E_RNA)
where:
Base-Base interactions energy: -24.030
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.001
local terms energy: -26.856199
where:
bonds (distance) C4'-P energy: -3.083
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -49.859619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.859619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.859619 (E_RNA)
where:
Base-Base interactions energy: -22.203
where: short stacking energy: -22.203
Base-Backbone interact. energy: -0.005
local terms energy: -27.651943
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -46.475866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.475866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.475866 (E_RNA)
where:
Base-Base interactions energy: -18.738
where: short stacking energy: -18.738
Base-Backbone interact. energy: -0.000
local terms energy: -27.737607
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -46.658893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.658893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.658893 (E_RNA)
where:
Base-Base interactions energy: -22.077
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.021
local terms energy: -24.561246
where:
bonds (distance) C4'-P energy: -4.933
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -3.959
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -46.774611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.774611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.774611 (E_RNA)
where:
Base-Base interactions energy: -18.087
where: short stacking energy: -15.214
Base-Backbone interact. energy: -0.002
local terms energy: -28.685373
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -3.218
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: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -42.364199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.364199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.364199 (E_RNA)
where:
Base-Base interactions energy: -19.605
where: short stacking energy: -19.605
Base-Backbone interact. energy: -0.000
local terms energy: -22.758806
where:
bonds (distance) C4'-P energy: -4.076
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -36.826369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.826369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.826369 (E_RNA)
where:
Base-Base interactions energy: -14.292
where: short stacking energy: -14.292
Base-Backbone interact. energy: -0.003
local terms energy: -22.531203
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.541
flat angles P-C4'-P energy: -3.525
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: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -40.097928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.097928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.097928 (E_RNA)
where:
Base-Base interactions energy: -12.627
where: short stacking energy: -12.627
Base-Backbone interact. energy: -0.032
local terms energy: -27.438557
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -35.646875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.646875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.646875 (E_RNA)
where:
Base-Base interactions energy: -13.845
where: short stacking energy: -9.699
Base-Backbone interact. energy: -0.201
local terms energy: -21.600146
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.424
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: 0.108
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: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -34.847773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.847773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.847773 (E_RNA)
where:
Base-Base interactions energy: -10.496
where: short stacking energy: -9.747
Base-Backbone interact. energy: -0.010
local terms energy: -24.341654
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -4.015
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: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -50.726450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.726450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.726450 (E_RNA)
where:
Base-Base interactions energy: -21.111
where: short stacking energy: -17.035
Base-Backbone interact. energy: -0.003
local terms energy: -29.612391
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -5.443
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: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -48.205580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.205580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.205580 (E_RNA)
where:
Base-Base interactions energy: -20.409
where: short stacking energy: -20.409
Base-Backbone interact. energy: -0.632
local terms energy: -27.164803
where:
bonds (distance) C4'-P energy: -5.387
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -4.407
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: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -49.493290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.493290 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -18.472
Base-Backbone interact. energy: -0.002
local terms energy: -26.568952
where:
bonds (distance) C4'-P energy: -2.804
bonds (distance) P-C4' energy: -6.470
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -47.382682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.382682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.382682 (E_RNA)
where:
Base-Base interactions energy: -22.521
where: short stacking energy: -22.521
Base-Backbone interact. energy: -0.003
local terms energy: -24.858724
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -3.498
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -4.365
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: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -45.755872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.755872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.755872 (E_RNA)
where:
Base-Base interactions energy: -15.028
where: short stacking energy: -15.028
Base-Backbone interact. energy: -0.000
local terms energy: -30.727576
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -40.420090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.420090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.420090 (E_RNA)
where:
Base-Base interactions energy: -15.591
where: short stacking energy: -11.086
Base-Backbone interact. energy: -0.060
local terms energy: -24.768824
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -46.058353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.058353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.058353 (E_RNA)
where:
Base-Base interactions energy: -17.686
where: short stacking energy: -17.686
Base-Backbone interact. energy: -0.000
local terms energy: -28.371795
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -5.681
flat angles C4'-P-C4' energy: -4.533
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -34.920077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.920077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.920077 (E_RNA)
where:
Base-Base interactions energy: -11.408
where: short stacking energy: -11.408
Base-Backbone interact. energy: -0.006
local terms energy: -23.505527
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: 0.472
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: 91
Temperature: 1.300000
Total energy: -40.464446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.464446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.464446 (E_RNA)
where:
Base-Base interactions energy: -11.152
where: short stacking energy: -11.152
Base-Backbone interact. energy: -0.000
local terms energy: -29.312542
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -30.230526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.230526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.230526 (E_RNA)
where:
Base-Base interactions energy: -6.378
where: short stacking energy: -6.378
Base-Backbone interact. energy: -0.019
local terms energy: -23.833258
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -50.759933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.759933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.759933 (E_RNA)
where:
Base-Base interactions energy: -22.571
where: short stacking energy: -22.571
Base-Backbone interact. energy: -0.000
local terms energy: -28.188554
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -4.539
flat angles C4'-P-C4' energy: -5.931
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -56.471145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.471145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.471145 (E_RNA)
where:
Base-Base interactions energy: -26.773
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.000
local terms energy: -29.698139
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -2.456
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -55.069238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.069238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.069238 (E_RNA)
where:
Base-Base interactions energy: -25.201
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.000
local terms energy: -29.868033
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -50.532165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.532165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.532165 (E_RNA)
where:
Base-Base interactions energy: -19.168
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.000
local terms energy: -31.364450
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -2.212
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -44.968070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.968070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.968070 (E_RNA)
where:
Base-Base interactions energy: -17.905
where: short stacking energy: -17.905
Base-Backbone interact. energy: -0.112
local terms energy: -26.950456
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -7.125
flat angles P-C4'-P energy: -1.578
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -38.639835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.639835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.639835 (E_RNA)
where:
Base-Base interactions energy: -18.450
where: short stacking energy: -18.450
Base-Backbone interact. energy: 0.323
local terms energy: -20.513033
where:
bonds (distance) C4'-P energy: -4.933
bonds (distance) P-C4' energy: -2.406
flat angles C4'-P-C4' energy: -4.363
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -37.373980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.373980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.373980 (E_RNA)
where:
Base-Base interactions energy: -12.909
where: short stacking energy: -12.909
Base-Backbone interact. energy: -0.000
local terms energy: -24.464356
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.872
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -4.815
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: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -36.440165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.440165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.440165 (E_RNA)
where:
Base-Base interactions energy: -10.961
where: short stacking energy: -10.961
Base-Backbone interact. energy: -0.003
local terms energy: -25.476255
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -5.714
flat angles P-C4'-P energy: -4.452
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: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -43.707723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.707723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.707723 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -21.102
Base-Backbone interact. energy: -0.003
local terms energy: -22.602800
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -3.627
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -4.024
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: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -28.728567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.728567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.728567 (E_RNA)
where:
Base-Base interactions energy: -6.895
where: short stacking energy: -6.895
Base-Backbone interact. energy: -0.152
local terms energy: -21.682099
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -3.272
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -52.580181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.580181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.580181 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.000
local terms energy: -26.619812
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -2.598
tors. eta vs tors. theta energy: -4.659
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -50.463697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.463697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.463697 (E_RNA)
where:
Base-Base interactions energy: -25.374
where: short stacking energy: -25.374
Base-Backbone interact. energy: -0.000
local terms energy: -25.089612
where:
bonds (distance) C4'-P energy: -3.451
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: 0.024
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -46.268177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.268177 (E_RNA)
where:
Base-Base interactions energy: -18.974
where: short stacking energy: -18.974
Base-Backbone interact. energy: -0.010
local terms energy: -27.283802
where:
bonds (distance) C4'-P energy: -4.122
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -6.094
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: 93
Temperature: 1.050000
Total energy: -47.701226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.701226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.701226 (E_RNA)
where:
Base-Base interactions energy: -23.141
where: short stacking energy: -20.781
Base-Backbone interact. energy: -0.001
local terms energy: -24.559209
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -5.191
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -2.439
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -44.677026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.677026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.677026 (E_RNA)
where:
Base-Base interactions energy: -17.535
where: short stacking energy: -16.635
Base-Backbone interact. energy: -0.001
local terms energy: -27.140802
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -40.446676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.446676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.446676 (E_RNA)
where:
Base-Base interactions energy: -12.775
where: short stacking energy: -12.775
Base-Backbone interact. energy: -0.002
local terms energy: -27.669669
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -6.760
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -39.691570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.691570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.691570 (E_RNA)
where:
Base-Base interactions energy: -15.540
where: short stacking energy: -13.809
Base-Backbone interact. energy: -0.000
local terms energy: -24.151630
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -3.112
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: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -43.212474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.212474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.212474 (E_RNA)
where:
Base-Base interactions energy: -23.149
where: short stacking energy: -11.180
Base-Backbone interact. energy: -0.049
local terms energy: -20.013850
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.966
flat angles P-C4'-P energy: -0.827
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: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -43.813579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.813579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.813579 (E_RNA)
where:
Base-Base interactions energy: -20.909
where: short stacking energy: -20.909
Base-Backbone interact. energy: -0.000
local terms energy: -22.904854
where:
bonds (distance) C4'-P energy: -4.189
bonds (distance) P-C4' energy: -4.992
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -36.937894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.937894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.937894 (E_RNA)
where:
Base-Base interactions energy: -16.248
where: short stacking energy: -11.896
Base-Backbone interact. energy: -0.002
local terms energy: -20.688114
where:
bonds (distance) C4'-P energy: -4.377
bonds (distance) P-C4' energy: -5.523
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -1.164
tors. eta vs tors. theta energy: -4.002
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: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -55.343172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.343172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.343172 (E_RNA)
where:
Base-Base interactions energy: -25.967
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.000
local terms energy: -29.376192
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.422
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -43.980924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.980924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.980924 (E_RNA)
where:
Base-Base interactions energy: -17.269
where: short stacking energy: -17.269
Base-Backbone interact. energy: -0.169
local terms energy: -26.543134
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -53.263869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.263869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.263869 (E_RNA)
where:
Base-Base interactions energy: -22.510
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.000
local terms energy: -30.753931
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -8.093
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: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -41.539057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.539057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.539057 (E_RNA)
where:
Base-Base interactions energy: -15.778
where: short stacking energy: -15.778
Base-Backbone interact. energy: -0.003
local terms energy: -25.758738
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -43.589886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.589886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.589886 (E_RNA)
where:
Base-Base interactions energy: -15.880
where: short stacking energy: -15.880
Base-Backbone interact. energy: -0.002
local terms energy: -27.707345
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.484
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -46.048111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.048111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.048111 (E_RNA)
where:
Base-Base interactions energy: -17.705
where: short stacking energy: -17.705
Base-Backbone interact. energy: -0.000
local terms energy: -28.343120
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -39.455080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.455080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.455080 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.000
local terms energy: -22.281695
where:
bonds (distance) C4'-P energy: -5.404
bonds (distance) P-C4' energy: -4.924
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -4.046
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -32.842290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.842290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.842290 (E_RNA)
where:
Base-Base interactions energy: -10.266
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.016
local terms energy: -22.560017
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -1.163
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -33.205315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.205315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.205315 (E_RNA)
where:
Base-Base interactions energy: -11.551
where: short stacking energy: -11.551
Base-Backbone interact. energy: -0.086
local terms energy: -21.568044
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -4.769
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -33.836555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.836555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.836555 (E_RNA)
where:
Base-Base interactions energy: -9.248
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.000
local terms energy: -24.588565
where:
bonds (distance) C4'-P energy: -5.008
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -6.481
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -49.128122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.128122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.128122 (E_RNA)
where:
Base-Base interactions energy: -20.897
where: short stacking energy: -20.897
Base-Backbone interact. energy: -0.027
local terms energy: -28.203927
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -6.384
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: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -54.182155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.182155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.182155 (E_RNA)
where:
Base-Base interactions energy: -24.746
where: short stacking energy: -24.746
Base-Backbone interact. energy: -0.000
local terms energy: -29.436001
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -47.502377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.502377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.502377 (E_RNA)
where:
Base-Base interactions energy: -16.532
where: short stacking energy: -16.532
Base-Backbone interact. energy: -0.000
local terms energy: -30.969901
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -40.853321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.853321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.853321 (E_RNA)
where:
Base-Base interactions energy: -16.449
where: short stacking energy: -16.082
Base-Backbone interact. energy: -0.003
local terms energy: -24.401946
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -41.466549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.466549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.466549 (E_RNA)
where:
Base-Base interactions energy: -16.986
where: short stacking energy: -16.986
Base-Backbone interact. energy: -0.010
local terms energy: -24.470707
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -5.980
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -4.201
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: 95
Temperature: 1.150000
Total energy: -40.740447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.740447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.740447 (E_RNA)
where:
Base-Base interactions energy: -15.052
where: short stacking energy: -15.052
Base-Backbone interact. energy: -0.001
local terms energy: -25.687887
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -5.697
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -3.681
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: 95
Temperature: 1.200000
Total energy: -38.774295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.774295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.774295 (E_RNA)
where:
Base-Base interactions energy: -13.585
where: short stacking energy: -13.585
Base-Backbone interact. energy: -0.001
local terms energy: -25.187997
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -4.805
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -37.088945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.088945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.088945 (E_RNA)
where:
Base-Base interactions energy: -19.255
where: short stacking energy: -19.255
Base-Backbone interact. energy: -0.001
local terms energy: -17.832998
where:
bonds (distance) C4'-P energy: -3.393
bonds (distance) P-C4' energy: -2.853
flat angles C4'-P-C4' energy: -3.556
flat angles P-C4'-P energy: -3.491
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -37.752600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.752600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.752600 (E_RNA)
where:
Base-Base interactions energy: -15.707
where: short stacking energy: -15.707
Base-Backbone interact. energy: -0.001
local terms energy: -22.044931
where:
bonds (distance) C4'-P energy: -4.714
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -0.551
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -34.700073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.700073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.700073 (E_RNA)
where:
Base-Base interactions energy: -12.730
where: short stacking energy: -12.730
Base-Backbone interact. energy: -0.038
local terms energy: -21.932825
where:
bonds (distance) C4'-P energy: -6.482
bonds (distance) P-C4' energy: -4.143
flat angles C4'-P-C4' energy: -3.998
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -50.470963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.470963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.470963 (E_RNA)
where:
Base-Base interactions energy: -22.733
where: short stacking energy: -22.733
Base-Backbone interact. energy: -0.000
local terms energy: -27.737864
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -45.633330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.633330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.633330 (E_RNA)
where:
Base-Base interactions energy: -19.572
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.003
local terms energy: -26.058473
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -4.961
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -4.075
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: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -45.952483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.952483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.952483 (E_RNA)
where:
Base-Base interactions energy: -17.901
where: short stacking energy: -17.901
Base-Backbone interact. energy: -0.000
local terms energy: -28.051253
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -1.669
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -51.361379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.361379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.361379 (E_RNA)
where:
Base-Base interactions energy: -22.115
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.000
local terms energy: -29.246648
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -46.650625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.650625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.650625 (E_RNA)
where:
Base-Base interactions energy: -17.315
where: short stacking energy: -17.315
Base-Backbone interact. energy: -0.008
local terms energy: -29.327216
where:
bonds (distance) C4'-P energy: -5.351
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -44.897029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.897029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.897029 (E_RNA)
where:
Base-Base interactions energy: -16.655
where: short stacking energy: -16.655
Base-Backbone interact. energy: -0.000
local terms energy: -28.241402
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -5.056
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -35.136601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.136601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.136601 (E_RNA)
where:
Base-Base interactions energy: -11.882
where: short stacking energy: -11.882
Base-Backbone interact. energy: -0.011
local terms energy: -23.243106
where:
bonds (distance) C4'-P energy: -5.123
bonds (distance) P-C4' energy: -7.242
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -43.128069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.128069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.128069 (E_RNA)
where:
Base-Base interactions energy: -19.010
where: short stacking energy: -19.010
Base-Backbone interact. energy: -0.000
local terms energy: -24.117471
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -6.178
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -36.470246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.470246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.470246 (E_RNA)
where:
Base-Base interactions energy: -15.314
where: short stacking energy: -15.314
Base-Backbone interact. energy: -0.002
local terms energy: -21.154761
where:
bonds (distance) C4'-P energy: -4.916
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -0.600
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -37.012520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.012520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.012520 (E_RNA)
where:
Base-Base interactions energy: -17.210
where: short stacking energy: -15.988
Base-Backbone interact. energy: -0.003
local terms energy: -19.799030
where:
bonds (distance) C4'-P energy: -3.255
bonds (distance) P-C4' energy: -5.879
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -1.601
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -49.875708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.875708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.875708 (E_RNA)
where:
Base-Base interactions energy: -20.262
where: short stacking energy: -20.262
Base-Backbone interact. energy: -0.002
local terms energy: -29.611489
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -57.466511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.466511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.466511 (E_RNA)
where:
Base-Base interactions energy: -27.854
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.000
local terms energy: -29.612594
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.085
flat angles P-C4'-P energy: -1.122
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -36.859401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.859401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.859401 (E_RNA)
where:
Base-Base interactions energy: -11.318
where: short stacking energy: -11.318
Base-Backbone interact. energy: -0.023
local terms energy: -25.518472
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -6.552
flat angles P-C4'-P energy: -4.541
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: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -44.307143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.307143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.307143 (E_RNA)
where:
Base-Base interactions energy: -16.359
where: short stacking energy: -16.359
Base-Backbone interact. energy: -0.000
local terms energy: -27.948261
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -3.465
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -51.808101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.808101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.808101 (E_RNA)
where:
Base-Base interactions energy: -21.999
where: short stacking energy: -21.999
Base-Backbone interact. energy: -0.000
local terms energy: -29.808605
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.972
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -38.374339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.374339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.374339 (E_RNA)
where:
Base-Base interactions energy: -10.507
where: short stacking energy: -10.507
Base-Backbone interact. energy: -0.000
local terms energy: -27.867227
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -36.911810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.911810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.911810 (E_RNA)
where:
Base-Base interactions energy: -12.883
where: short stacking energy: -12.883
Base-Backbone interact. energy: -0.217
local terms energy: -23.811451
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -3.850
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: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -45.040353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.040353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.040353 (E_RNA)
where:
Base-Base interactions energy: -17.587
where: short stacking energy: -17.587
Base-Backbone interact. energy: -0.000
local terms energy: -27.452909
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.629
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -43.374856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.374856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.374856 (E_RNA)
where:
Base-Base interactions energy: -20.902
where: short stacking energy: -14.433
Base-Backbone interact. energy: -0.102
local terms energy: -22.371002
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.283
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -0.316
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -37.882907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.882907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.882907 (E_RNA)
where:
Base-Base interactions energy: -10.621
where: short stacking energy: -10.621
Base-Backbone interact. energy: -0.043
local terms energy: -27.218647
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -58.286128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.286128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.286128 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.000
local terms energy: -30.632830
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -7.484
flat angles P-C4'-P energy: -1.986
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -47.106079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.106079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.106079 (E_RNA)
where:
Base-Base interactions energy: -19.238
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.099
local terms energy: -27.769215
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -49.212179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.212179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.212179 (E_RNA)
where:
Base-Base interactions energy: -21.676
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.004
local terms energy: -27.531920
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -4.405
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -41.544469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.544469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.544469 (E_RNA)
where:
Base-Base interactions energy: -20.051
where: short stacking energy: -15.027
Base-Backbone interact. energy: 0.777
local terms energy: -22.270062
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -5.156
flat angles P-C4'-P energy: -2.232
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -38.433567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.433567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.433567 (E_RNA)
where:
Base-Base interactions energy: -16.057
where: short stacking energy: -16.057
Base-Backbone interact. energy: -0.088
local terms energy: -22.288037
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.721
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -36.509078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.509078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.509078 (E_RNA)
where:
Base-Base interactions energy: -14.392
where: short stacking energy: -14.392
Base-Backbone interact. energy: -0.063
local terms energy: -22.053995
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -1.265
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -44.911939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.911939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.911939 (E_RNA)
where:
Base-Base interactions energy: -23.201
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.073
local terms energy: -21.638618
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.137
flat angles P-C4'-P energy: -0.779
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -32.823874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.823874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.823874 (E_RNA)
where:
Base-Base interactions energy: -11.704
where: short stacking energy: -11.704
Base-Backbone interact. energy: -0.006
local terms energy: -21.114059
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.190
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -31.791406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.791406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.791406 (E_RNA)
where:
Base-Base interactions energy: -13.678
where: short stacking energy: -11.847
Base-Backbone interact. energy: -0.002
local terms energy: -18.111179
where:
bonds (distance) C4'-P energy: -2.361
bonds (distance) P-C4' energy: -4.419
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -30.631646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.631646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.631646 (E_RNA)
where:
Base-Base interactions energy: -10.294
where: short stacking energy: -9.456
Base-Backbone interact. energy: -0.007
local terms energy: -20.331134
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -1.993
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -50.342840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.342840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.342840 (E_RNA)
where:
Base-Base interactions energy: -22.807
where: short stacking energy: -21.660
Base-Backbone interact. energy: 0.011
local terms energy: -27.546523
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -47.906040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.906040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.906040 (E_RNA)
where:
Base-Base interactions energy: -20.096
where: short stacking energy: -18.660
Base-Backbone interact. energy: -0.070
local terms energy: -27.739847
where:
bonds (distance) C4'-P energy: -6.084
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -53.046923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.046923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.046923 (E_RNA)
where:
Base-Base interactions energy: -24.689
where: short stacking energy: -20.832
Base-Backbone interact. energy: -0.515
local terms energy: -27.843088
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -3.472
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: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -51.761914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.761914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.761914 (E_RNA)
where:
Base-Base interactions energy: -21.234
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.000
local terms energy: -30.527372
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -5.983
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -9.058
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: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -43.555006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.555006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.555006 (E_RNA)
where:
Base-Base interactions energy: -19.148
where: short stacking energy: -19.148
Base-Backbone interact. energy: -0.001
local terms energy: -24.406795
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -4.442
flat angles C4'-P-C4' energy: -2.911
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -39.738795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.738795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.738795 (E_RNA)
where:
Base-Base interactions energy: -15.373
where: short stacking energy: -10.886
Base-Backbone interact. energy: -0.004
local terms energy: -24.361733
where:
bonds (distance) C4'-P energy: -4.254
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.617
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -4.229
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: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -34.500758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.500758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.500758 (E_RNA)
where:
Base-Base interactions energy: -11.820
where: short stacking energy: -11.820
Base-Backbone interact. energy: -0.012
local terms energy: -22.669204
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -0.736
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: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -37.784996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.784996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.784996 (E_RNA)
where:
Base-Base interactions energy: -13.255
where: short stacking energy: -13.255
Base-Backbone interact. energy: -0.000
local terms energy: -24.529703
where:
bonds (distance) C4'-P energy: -6.647
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.180
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -37.462498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.462498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.462498 (E_RNA)
where:
Base-Base interactions energy: -11.146
where: short stacking energy: -11.146
Base-Backbone interact. energy: -0.025
local terms energy: -26.290875
where:
bonds (distance) C4'-P energy: -4.623
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -33.015725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.015725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.015725 (E_RNA)
where:
Base-Base interactions energy: -10.944
where: short stacking energy: -10.944
Base-Backbone interact. energy: -0.049
local terms energy: -22.022984
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -5.019
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -62.943656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.943656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.943656 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.000
local terms energy: -33.858760
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -5.624
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: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -51.767547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.767547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.767547 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -20.999
Base-Backbone interact. energy: -0.008
local terms energy: -23.871086
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -1.527
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: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -48.815308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.815308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.815308 (E_RNA)
where:
Base-Base interactions energy: -19.105
where: short stacking energy: -19.105
Base-Backbone interact. energy: -0.000
local terms energy: -29.710719
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -42.889001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.889001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.889001 (E_RNA)
where:
Base-Base interactions energy: -16.401
where: short stacking energy: -16.401
Base-Backbone interact. energy: -0.005
local terms energy: -26.483213
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.221
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -40.925600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.925600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.925600 (E_RNA)
where:
Base-Base interactions energy: -15.638
where: short stacking energy: -14.402
Base-Backbone interact. energy: -0.014
local terms energy: -25.272905
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -2.180
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: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -33.739898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.739898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.739898 (E_RNA)
where:
Base-Base interactions energy: -9.524
where: short stacking energy: -9.524
Base-Backbone interact. energy: -0.840
local terms energy: -23.376300
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -5.419
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -1.679
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: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -34.484210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.484210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.484210 (E_RNA)
where:
Base-Base interactions energy: -17.334
where: short stacking energy: -15.963
Base-Backbone interact. energy: -0.042
local terms energy: -17.108541
where:
bonds (distance) C4'-P energy: -5.309
bonds (distance) P-C4' energy: -3.078
flat angles C4'-P-C4' energy: -5.151
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -0.487
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: 100
Temperature: 1.250000
Total energy: -40.396949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.396949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.396949 (E_RNA)
where:
Base-Base interactions energy: -16.670
where: short stacking energy: -12.284
Base-Backbone interact. energy: 0.191
local terms energy: -23.917879
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -34.624978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.624978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.624978 (E_RNA)
where:
Base-Base interactions energy: -11.005
where: short stacking energy: -7.663
Base-Backbone interact. energy: -0.077
local terms energy: -23.542876
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -35.657741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.657741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.657741 (E_RNA)
where:
Base-Base interactions energy: -15.486
where: short stacking energy: -14.622
Base-Backbone interact. energy: -0.005
local terms energy: -20.166331
where:
bonds (distance) C4'-P energy: -3.041
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.701
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -49.322245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.322245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.322245 (E_RNA)
where:
Base-Base interactions energy: -19.856
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.001
local terms energy: -29.464855
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -47.379339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.379339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.379339 (E_RNA)
where:
Base-Base interactions energy: -22.023
where: short stacking energy: -19.816
Base-Backbone interact. energy: -0.000
local terms energy: -25.355831
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.778
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -45.760408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.760408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.760408 (E_RNA)
where:
Base-Base interactions energy: -18.228
where: short stacking energy: -18.228
Base-Backbone interact. energy: -0.000
local terms energy: -27.531661
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -4.802
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -43.234382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.234382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.234382 (E_RNA)
where:
Base-Base interactions energy: -17.092
where: short stacking energy: -17.092
Base-Backbone interact. energy: -0.001
local terms energy: -26.140995
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -3.999
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -41.902189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.902189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.902189 (E_RNA)
where:
Base-Base interactions energy: -17.347
where: short stacking energy: -16.693
Base-Backbone interact. energy: -0.050
local terms energy: -24.504863
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -0.927
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -36.676674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.676674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.676674 (E_RNA)
where:
Base-Base interactions energy: -15.014
where: short stacking energy: -15.014
Base-Backbone interact. energy: -0.034
local terms energy: -21.628438
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.659
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -33.674025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.674025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.674025 (E_RNA)
where:
Base-Base interactions energy: -7.981
where: short stacking energy: -7.981
Base-Backbone interact. energy: -0.071
local terms energy: -25.621769
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -2.093
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -38.704633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.704633 (E_RNA)
where:
Base-Base interactions energy: -15.646
where: short stacking energy: -15.646
Base-Backbone interact. energy: -0.000
local terms energy: -23.059075
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -2.001
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -42.795878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.795878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.795878 (E_RNA)
where:
Base-Base interactions energy: -16.920
where: short stacking energy: -16.920
Base-Backbone interact. energy: -0.000
local terms energy: -25.876278
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -36.930864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.930864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.930864 (E_RNA)
where:
Base-Base interactions energy: -7.474
where: short stacking energy: -7.474
Base-Backbone interact. energy: -0.000
local terms energy: -29.456574
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -58.209860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.209860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.209860 (E_RNA)
where:
Base-Base interactions energy: -27.308
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.000
local terms energy: -30.901897
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -54.267387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.267387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.267387 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.000
local terms energy: -30.060160
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -40.126108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.126108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.126108 (E_RNA)
where:
Base-Base interactions energy: -11.407
where: short stacking energy: -11.407
Base-Backbone interact. energy: -0.128
local terms energy: -28.591360
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -42.719871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.719871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.719871 (E_RNA)
where:
Base-Base interactions energy: -15.878
where: short stacking energy: -15.878
Base-Backbone interact. energy: -0.000
local terms energy: -26.841416
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.444
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -40.571074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.571074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.571074 (E_RNA)
where:
Base-Base interactions energy: -15.459
where: short stacking energy: -15.459
Base-Backbone interact. energy: -0.000
local terms energy: -25.111423
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -5.421
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -39.387284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.387284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.387284 (E_RNA)
where:
Base-Base interactions energy: -15.820
where: short stacking energy: -15.820
Base-Backbone interact. energy: -0.074
local terms energy: -23.493611
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: -2.188
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -38.223853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.223853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.223853 (E_RNA)
where:
Base-Base interactions energy: -14.541
where: short stacking energy: -14.493
Base-Backbone interact. energy: -0.032
local terms energy: -23.650247
where:
bonds (distance) C4'-P energy: -3.559
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.890
flat angles P-C4'-P energy: -3.853
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: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -36.215432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.215432 (E_RNA)
where:
Base-Base interactions energy: -9.127
where: short stacking energy: -7.848
Base-Backbone interact. energy: -0.004
local terms energy: -27.084069
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.165
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -42.001812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.001812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.001812 (E_RNA)
where:
Base-Base interactions energy: -16.070
where: short stacking energy: -11.319
Base-Backbone interact. energy: -0.000
local terms energy: -25.931184
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -28.979897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.979897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.979897 (E_RNA)
where:
Base-Base interactions energy: -6.552
where: short stacking energy: -6.552
Base-Backbone interact. energy: -0.372
local terms energy: -22.055779
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: 0.100
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: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -51.153177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.153177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.153177 (E_RNA)
where:
Base-Base interactions energy: -20.022
where: short stacking energy: -20.022
Base-Backbone interact. energy: -0.000
local terms energy: -31.130674
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -53.957039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.957039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.957039 (E_RNA)
where:
Base-Base interactions energy: -23.331
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.002
local terms energy: -30.624043
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -52.398941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.398941 (E_RNA)
where:
Base-Base interactions energy: -26.193
where: short stacking energy: -25.544
Base-Backbone interact. energy: -0.000
local terms energy: -26.206284
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -1.012
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -39.717696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.717696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.717696 (E_RNA)
where:
Base-Base interactions energy: -14.950
where: short stacking energy: -14.950
Base-Backbone interact. energy: -0.014
local terms energy: -24.753527
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.006
flat angles C4'-P-C4' energy: -3.142
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -44.937218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.937218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.937218 (E_RNA)
where:
Base-Base interactions energy: -19.951
where: short stacking energy: -19.951
Base-Backbone interact. energy: -0.000
local terms energy: -24.986298
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -4.336
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: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -37.552939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.552939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.552939 (E_RNA)
where:
Base-Base interactions energy: -12.297
where: short stacking energy: -12.067
Base-Backbone interact. energy: -0.000
local terms energy: -25.255879
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -40.414347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.414347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.414347 (E_RNA)
where:
Base-Base interactions energy: -15.701
where: short stacking energy: -15.701
Base-Backbone interact. energy: -0.000
local terms energy: -24.712901
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -5.087
flat angles C4'-P-C4' energy: -6.205
flat angles P-C4'-P energy: -3.450
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: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -35.122250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.122250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.122250 (E_RNA)
where:
Base-Base interactions energy: -12.422
where: short stacking energy: -12.422
Base-Backbone interact. energy: -0.002
local terms energy: -22.698913
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -33.586780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.586780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.586780 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.160
local terms energy: -20.779502
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.646
flat angles C4'-P-C4' energy: -5.151
flat angles P-C4'-P energy: -0.878
tors. eta vs tors. theta energy: -2.305
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: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -35.215263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.215263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.215263 (E_RNA)
where:
Base-Base interactions energy: -12.518
where: short stacking energy: -11.421
Base-Backbone interact. energy: -0.137
local terms energy: -22.559905
where:
bonds (distance) C4'-P energy: -5.847
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -51.866346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.866346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.866346 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.000
local terms energy: -25.935883
where:
bonds (distance) C4'-P energy: -5.044
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -50.132089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.132089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.132089 (E_RNA)
where:
Base-Base interactions energy: -19.831
where: short stacking energy: -19.831
Base-Backbone interact. energy: -0.009
local terms energy: -30.291267
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.705
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: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -44.837268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.837268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.837268 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.047
local terms energy: -28.230180
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.426
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -44.321017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.321017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.321017 (E_RNA)
where:
Base-Base interactions energy: -15.398
where: short stacking energy: -11.052
Base-Backbone interact. energy: -0.690
local terms energy: -28.233721
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -42.794137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.794137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.794137 (E_RNA)
where:
Base-Base interactions energy: -19.608
where: short stacking energy: -19.608
Base-Backbone interact. energy: -0.000
local terms energy: -23.185873
where:
bonds (distance) C4'-P energy: -4.900
bonds (distance) P-C4' energy: -5.411
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -3.972
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: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -41.767985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.767985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.767985 (E_RNA)
where:
Base-Base interactions energy: -19.794
where: short stacking energy: -19.794
Base-Backbone interact. energy: -0.003
local terms energy: -21.970822
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -3.399
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -35.091035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.091035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.091035 (E_RNA)
where:
Base-Base interactions energy: -11.378
where: short stacking energy: -11.294
Base-Backbone interact. energy: -0.106
local terms energy: -23.606978
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -4.348
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -42.689494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.689494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.689494 (E_RNA)
where:
Base-Base interactions energy: -14.520
where: short stacking energy: -14.520
Base-Backbone interact. energy: -0.000
local terms energy: -28.169353
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -1.955
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -42.540806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.540806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.540806 (E_RNA)
where:
Base-Base interactions energy: -16.979
where: short stacking energy: -16.979
Base-Backbone interact. energy: -0.000
local terms energy: -25.561756
where:
bonds (distance) C4'-P energy: -4.804
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.330
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -35.632543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.632543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.632543 (E_RNA)
where:
Base-Base interactions energy: -13.590
where: short stacking energy: -13.590
Base-Backbone interact. energy: -0.004
local terms energy: -22.038603
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -1.480
flat angles C4'-P-C4' energy: -4.321
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -51.384487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.384487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.384487 (E_RNA)
where:
Base-Base interactions energy: -19.876
where: short stacking energy: -19.876
Base-Backbone interact. energy: -0.009
local terms energy: -31.499542
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -48.957279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.957279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.957279 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -20.777
Base-Backbone interact. energy: -0.001
local terms energy: -28.178580
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -47.166032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.166032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.166032 (E_RNA)
where:
Base-Base interactions energy: -20.796
where: short stacking energy: -20.796
Base-Backbone interact. energy: -0.001
local terms energy: -26.368830
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -48.072812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.072812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.072812 (E_RNA)
where:
Base-Base interactions energy: -23.117
where: short stacking energy: -22.263
Base-Backbone interact. energy: -0.000
local terms energy: -24.955880
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.290
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -34.526127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.526127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.526127 (E_RNA)
where:
Base-Base interactions energy: -8.538
where: short stacking energy: -8.538
Base-Backbone interact. energy: -0.000
local terms energy: -25.987900
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.348
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -1.289
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: 105
Temperature: 1.150000
Total energy: -38.721595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.721595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.721595 (E_RNA)
where:
Base-Base interactions energy: -16.001
where: short stacking energy: -16.001
Base-Backbone interact. energy: 0.029
local terms energy: -22.750292
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -36.503527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.503527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.503527 (E_RNA)
where:
Base-Base interactions energy: -12.403
where: short stacking energy: -11.440
Base-Backbone interact. energy: -0.000
local terms energy: -24.100463
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -36.273918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.273918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.273918 (E_RNA)
where:
Base-Base interactions energy: -8.035
where: short stacking energy: -7.645
Base-Backbone interact. energy: -0.893
local terms energy: -27.345490
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -36.424838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.424838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.424838 (E_RNA)
where:
Base-Base interactions energy: -14.548
where: short stacking energy: -12.089
Base-Backbone interact. energy: -0.001
local terms energy: -21.876309
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -42.663976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.663976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.663976 (E_RNA)
where:
Base-Base interactions energy: -18.662
where: short stacking energy: -18.662
Base-Backbone interact. energy: -0.043
local terms energy: -23.958615
where:
bonds (distance) C4'-P energy: -3.354
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -49.500727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.500727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.500727 (E_RNA)
where:
Base-Base interactions energy: -20.949
where: short stacking energy: -19.784
Base-Backbone interact. energy: -0.001
local terms energy: -28.550749
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -46.799124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.799124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.799124 (E_RNA)
where:
Base-Base interactions energy: -18.497
where: short stacking energy: -18.497
Base-Backbone interact. energy: -0.001
local terms energy: -28.300836
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -3.988
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: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -49.587020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.587020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.587020 (E_RNA)
where:
Base-Base interactions energy: -24.169
where: short stacking energy: -24.169
Base-Backbone interact. energy: -0.000
local terms energy: -25.417916
where:
bonds (distance) C4'-P energy: -3.335
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -41.268846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.268846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.268846 (E_RNA)
where:
Base-Base interactions energy: -19.422
where: short stacking energy: -18.056
Base-Backbone interact. energy: -0.003
local terms energy: -21.844311
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -1.991
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -40.363164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.363164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.363164 (E_RNA)
where:
Base-Base interactions energy: -12.177
where: short stacking energy: -10.495
Base-Backbone interact. energy: -0.098
local terms energy: -28.088378
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -40.654887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.654887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.654887 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -11.785
Base-Backbone interact. energy: -0.046
local terms energy: -28.823522
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.242
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -38.813303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.813303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.813303 (E_RNA)
where:
Base-Base interactions energy: -14.085
where: short stacking energy: -14.085
Base-Backbone interact. energy: -0.100
local terms energy: -24.628835
where:
bonds (distance) C4'-P energy: -5.049
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -36.152249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.152249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.152249 (E_RNA)
where:
Base-Base interactions energy: -11.900
where: short stacking energy: -11.900
Base-Backbone interact. energy: -0.106
local terms energy: -24.146909
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.910
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -46.879848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.879848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.879848 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -23.103
Base-Backbone interact. energy: -0.000
local terms energy: -23.776616
where:
bonds (distance) C4'-P energy: -3.740
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -3.901
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: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -40.495480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.495480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.495480 (E_RNA)
where:
Base-Base interactions energy: -13.921
where: short stacking energy: -13.921
Base-Backbone interact. energy: -0.001
local terms energy: -26.574124
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -3.176
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: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -60.385698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.385698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.385698 (E_RNA)
where:
Base-Base interactions energy: -27.736
where: short stacking energy: -27.736
Base-Backbone interact. energy: -0.000
local terms energy: -32.649947
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -40.515396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.515396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.515396 (E_RNA)
where:
Base-Base interactions energy: -13.978
where: short stacking energy: -13.536
Base-Backbone interact. energy: -0.001
local terms energy: -26.537334
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -2.284
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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -46.003243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.003243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.003243 (E_RNA)
where:
Base-Base interactions energy: -16.644
where: short stacking energy: -16.644
Base-Backbone interact. energy: -0.224
local terms energy: -29.135981
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.453
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -42.255350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.255350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.255350 (E_RNA)
where:
Base-Base interactions energy: -17.983
where: short stacking energy: -17.983
Base-Backbone interact. energy: -0.002
local terms energy: -24.271204
where:
bonds (distance) C4'-P energy: -2.814
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -3.975
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: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -43.300344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.300344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.300344 (E_RNA)
where:
Base-Base interactions energy: -17.414
where: short stacking energy: -17.414
Base-Backbone interact. energy: -0.001
local terms energy: -25.885815
where:
bonds (distance) C4'-P energy: -5.152
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -39.417699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.417699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.417699 (E_RNA)
where:
Base-Base interactions energy: -14.977
where: short stacking energy: -14.977
Base-Backbone interact. energy: -0.154
local terms energy: -24.287396
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -3.356
flat angles P-C4'-P energy: -5.802
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: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -34.536532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.536532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.536532 (E_RNA)
where:
Base-Base interactions energy: -12.875
where: short stacking energy: -12.875
Base-Backbone interact. energy: -0.001
local terms energy: -21.660706
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -3.197
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -2.590
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: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -36.329892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.329892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.329892 (E_RNA)
where:
Base-Base interactions energy: -14.513
where: short stacking energy: -14.513
Base-Backbone interact. energy: -0.004
local terms energy: -21.812341
where:
bonds (distance) C4'-P energy: -2.863
bonds (distance) P-C4' energy: -3.694
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -4.045
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -35.119335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.119335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.119335 (E_RNA)
where:
Base-Base interactions energy: -15.848
where: short stacking energy: -15.848
Base-Backbone interact. energy: -0.527
local terms energy: -18.743981
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -2.548
flat angles C4'-P-C4' energy: -4.669
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -32.464228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.464228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.464228 (E_RNA)
where:
Base-Base interactions energy: -10.124
where: short stacking energy: -10.124
Base-Backbone interact. energy: -0.007
local terms energy: -22.333447
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.796
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -61.581025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.581025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.581025 (E_RNA)
where:
Base-Base interactions energy: -27.117
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.000
local terms energy: -34.463599
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.606
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -49.180716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.180716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.180716 (E_RNA)
where:
Base-Base interactions energy: -20.191
where: short stacking energy: -20.191
Base-Backbone interact. energy: -0.000
local terms energy: -28.989705
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -4.711
flat angles P-C4'-P energy: -4.931
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -39.939093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.939093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.939093 (E_RNA)
where:
Base-Base interactions energy: -15.315
where: short stacking energy: -15.315
Base-Backbone interact. energy: -0.004
local terms energy: -24.620402
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -2.626
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -41.642183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.642183 (E_RNA)
where:
Base-Base interactions energy: -13.938
where: short stacking energy: -13.938
Base-Backbone interact. energy: -0.002
local terms energy: -27.702979
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -5.790
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: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -46.660347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.660347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.660347 (E_RNA)
where:
Base-Base interactions energy: -19.366
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.050
local terms energy: -27.245230
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -43.091959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.091959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.091959 (E_RNA)
where:
Base-Base interactions energy: -18.776
where: short stacking energy: -14.263
Base-Backbone interact. energy: -0.071
local terms energy: -24.244913
where:
bonds (distance) C4'-P energy: -3.471
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -35.751495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.751495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.751495 (E_RNA)
where:
Base-Base interactions energy: -16.640
where: short stacking energy: -16.640
Base-Backbone interact. energy: -0.003
local terms energy: -19.108870
where:
bonds (distance) C4'-P energy: -2.714
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.154
flat angles P-C4'-P energy: -1.430
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -37.294679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.294679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.294679 (E_RNA)
where:
Base-Base interactions energy: -13.183
where: short stacking energy: -13.183
Base-Backbone interact. energy: -0.005
local terms energy: -24.106083
where:
bonds (distance) C4'-P energy: -5.240
bonds (distance) P-C4' energy: -5.768
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -4.066
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -38.367267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.367267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.367267 (E_RNA)
where:
Base-Base interactions energy: -15.805
where: short stacking energy: -15.008
Base-Backbone interact. energy: -0.004
local terms energy: -22.558206
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -4.466
flat angles C4'-P-C4' energy: -3.423
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -5.733
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: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -39.363245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.363245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.363245 (E_RNA)
where:
Base-Base interactions energy: -12.715
where: short stacking energy: -12.715
Base-Backbone interact. energy: -0.009
local terms energy: -26.639765
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -4.706
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: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -58.188752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.188752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.188752 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.000
local terms energy: -31.058101
where:
bonds (distance) C4'-P energy: -4.234
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -62.109474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.109474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.109474 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.000
local terms energy: -33.375264
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -6.513
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -48.625822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.625822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.625822 (E_RNA)
where:
Base-Base interactions energy: -22.644
where: short stacking energy: -20.351
Base-Backbone interact. energy: -0.002
local terms energy: -25.980134
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.857
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -46.524405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.524405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.524405 (E_RNA)
where:
Base-Base interactions energy: -21.395
where: short stacking energy: -17.467
Base-Backbone interact. energy: -0.000
local terms energy: -25.129803
where:
bonds (distance) C4'-P energy: -4.483
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -4.106
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -39.705305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.705305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.705305 (E_RNA)
where:
Base-Base interactions energy: -17.157
where: short stacking energy: -17.157
Base-Backbone interact. energy: -0.051
local terms energy: -22.497577
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -4.747
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -5.248
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: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -39.694372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.694372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.694372 (E_RNA)
where:
Base-Base interactions energy: -16.400
where: short stacking energy: -16.400
Base-Backbone interact. energy: -0.000
local terms energy: -23.293978
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -48.279671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.279671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.279671 (E_RNA)
where:
Base-Base interactions energy: -21.560
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.001
local terms energy: -26.718703
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -3.073
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -38.987046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.987046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.987046 (E_RNA)
where:
Base-Base interactions energy: -16.379
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.098
local terms energy: -22.510222
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -5.879
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -0.954
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -34.810321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.810321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.810321 (E_RNA)
where:
Base-Base interactions energy: -9.693
where: short stacking energy: -8.468
Base-Backbone interact. energy: -0.078
local terms energy: -25.039200
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -33.411158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.411158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.411158 (E_RNA)
where:
Base-Base interactions energy: -13.670
where: short stacking energy: -13.670
Base-Backbone interact. energy: 0.560
local terms energy: -20.301954
where:
bonds (distance) C4'-P energy: -3.708
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -5.420
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -2.223
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: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -56.344325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.344325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.344325 (E_RNA)
where:
Base-Base interactions energy: -22.511
where: short stacking energy: -22.511
Base-Backbone interact. energy: -0.000
local terms energy: -33.833639
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -48.434305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.434305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.434305 (E_RNA)
where:
Base-Base interactions energy: -18.572
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.000
local terms energy: -29.862676
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -5.643
flat angles C4'-P-C4' energy: -5.806
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -44.413875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.413875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.413875 (E_RNA)
where:
Base-Base interactions energy: -15.996
where: short stacking energy: -15.996
Base-Backbone interact. energy: -0.029
local terms energy: -28.388994
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.254
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -45.183785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.183785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.183785 (E_RNA)
where:
Base-Base interactions energy: -18.409
where: short stacking energy: -18.409
Base-Backbone interact. energy: -0.000
local terms energy: -26.774540
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -51.044922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.044922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.044922 (E_RNA)
where:
Base-Base interactions energy: -23.051
where: short stacking energy: -23.051
Base-Backbone interact. energy: -0.000
local terms energy: -27.993964
where:
bonds (distance) C4'-P energy: -5.307
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -6.561
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: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -42.161909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.161909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.161909 (E_RNA)
where:
Base-Base interactions energy: -17.309
where: short stacking energy: -17.309
Base-Backbone interact. energy: -0.000
local terms energy: -24.852944
where:
bonds (distance) C4'-P energy: -4.229
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -5.453
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -40.505312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.505312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.505312 (E_RNA)
where:
Base-Base interactions energy: -12.055
where: short stacking energy: -9.304
Base-Backbone interact. energy: 0.402
local terms energy: -28.852150
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -38.242022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.242022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.242022 (E_RNA)
where:
Base-Base interactions energy: -11.903
where: short stacking energy: -11.903
Base-Backbone interact. energy: -0.033
local terms energy: -26.306898
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.089
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -37.129137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.129137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.129137 (E_RNA)
where:
Base-Base interactions energy: -12.290
where: short stacking energy: -12.290
Base-Backbone interact. energy: -0.005
local terms energy: -24.834919
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.125
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -38.449357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.449357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.449357 (E_RNA)
where:
Base-Base interactions energy: -16.496
where: short stacking energy: -15.278
Base-Backbone interact. energy: 0.146
local terms energy: -22.099415
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -3.060
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -59.220530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.220530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.220530 (E_RNA)
where:
Base-Base interactions energy: -26.335
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.000
local terms energy: -32.885795
where:
bonds (distance) C4'-P energy: -5.541
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.907
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -53.414734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.414734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.414734 (E_RNA)
where:
Base-Base interactions energy: -22.990
where: short stacking energy: -22.990
Base-Backbone interact. energy: -0.000
local terms energy: -30.424890
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -51.348704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.348704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.348704 (E_RNA)
where:
Base-Base interactions energy: -24.492
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.000
local terms energy: -26.856903
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -47.564310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.564310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.564310 (E_RNA)
where:
Base-Base interactions energy: -18.647
where: short stacking energy: -18.647
Base-Backbone interact. energy: -0.001
local terms energy: -28.915877
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -38.847547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.847547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.847547 (E_RNA)
where:
Base-Base interactions energy: -16.158
where: short stacking energy: -16.158
Base-Backbone interact. energy: -0.003
local terms energy: -22.686300
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -4.109
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -1.958
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: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -41.435132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.435132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.435132 (E_RNA)
where:
Base-Base interactions energy: -17.689
where: short stacking energy: -17.689
Base-Backbone interact. energy: -0.031
local terms energy: -23.715774
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -4.337
flat angles P-C4'-P energy: -0.796
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -44.558037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.558037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.558037 (E_RNA)
where:
Base-Base interactions energy: -15.631
where: short stacking energy: -15.631
Base-Backbone interact. energy: -0.010
local terms energy: -28.917222
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -7.036
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -37.138969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.138969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.138969 (E_RNA)
where:
Base-Base interactions energy: -10.175
where: short stacking energy: -10.175
Base-Backbone interact. energy: 0.051
local terms energy: -27.014978
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -1.905
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: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -37.638058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.638058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.638058 (E_RNA)
where:
Base-Base interactions energy: -12.564
where: short stacking energy: -10.578
Base-Backbone interact. energy: -0.008
local terms energy: -25.066142
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -34.162833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.162833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.162833 (E_RNA)
where:
Base-Base interactions energy: -12.029
where: short stacking energy: -12.029
Base-Backbone interact. energy: -0.008
local terms energy: -22.126680
where:
bonds (distance) C4'-P energy: -4.387
bonds (distance) P-C4' energy: -5.333
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -5.174
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -50.512999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.512999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.512999 (E_RNA)
where:
Base-Base interactions energy: -21.817
where: short stacking energy: -21.817
Base-Backbone interact. energy: -0.000
local terms energy: -28.695225
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -41.691704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.691704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.691704 (E_RNA)
where:
Base-Base interactions energy: -16.130
where: short stacking energy: -15.289
Base-Backbone interact. energy: -0.002
local terms energy: -25.560622
where:
bonds (distance) C4'-P energy: -4.457
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -49.242641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.242641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.242641 (E_RNA)
where:
Base-Base interactions energy: -20.767
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.000
local terms energy: -28.475609
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -42.797639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.797639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.797639 (E_RNA)
where:
Base-Base interactions energy: -17.270
where: short stacking energy: -17.270
Base-Backbone interact. energy: -0.001
local terms energy: -25.526811
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.958
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -41.261119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.261119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.261119 (E_RNA)
where:
Base-Base interactions energy: -17.273
where: short stacking energy: -17.273
Base-Backbone interact. energy: -0.063
local terms energy: -23.924963
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -1.340
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -40.301450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.301450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.301450 (E_RNA)
where:
Base-Base interactions energy: -14.095
where: short stacking energy: -14.095
Base-Backbone interact. energy: -0.017
local terms energy: -26.189391
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -47.132332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.132332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.132332 (E_RNA)
where:
Base-Base interactions energy: -18.461
where: short stacking energy: -17.171
Base-Backbone interact. energy: -0.000
local terms energy: -28.670950
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -4.431
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: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -33.645191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.645191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.645191 (E_RNA)
where:
Base-Base interactions energy: -11.860
where: short stacking energy: -11.860
Base-Backbone interact. energy: -0.009
local terms energy: -21.775939
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -3.693
flat angles C4'-P-C4' energy: -4.400
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -40.009709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.009709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.009709 (E_RNA)
where:
Base-Base interactions energy: -14.328
where: short stacking energy: -14.328
Base-Backbone interact. energy: 0.010
local terms energy: -25.691856
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -35.104326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.104326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.104326 (E_RNA)
where:
Base-Base interactions energy: -13.732
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.000
local terms energy: -21.371784
where:
bonds (distance) C4'-P energy: -3.455
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -1.778
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -44.377297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.377297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.377297 (E_RNA)
where:
Base-Base interactions energy: -19.767
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.003
local terms energy: -24.607467
where:
bonds (distance) C4'-P energy: -5.049
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -51.919380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.919380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.919380 (E_RNA)
where:
Base-Base interactions energy: -25.429
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.002
local terms energy: -26.487764
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -3.735
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -50.763564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.763564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.763564 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.000
local terms energy: -26.728324
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -5.101
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -43.500818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.500818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.500818 (E_RNA)
where:
Base-Base interactions energy: -14.017
where: short stacking energy: -9.305
Base-Backbone interact. energy: -0.752
local terms energy: -28.731703
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.280
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -3.678
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -38.995254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.995254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.995254 (E_RNA)
where:
Base-Base interactions energy: -15.817
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.089
local terms energy: -23.089116
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -4.777
flat angles P-C4'-P energy: -0.845
tors. eta vs tors. theta energy: -3.952
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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -38.974137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.974137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.974137 (E_RNA)
where:
Base-Base interactions energy: -16.408
where: short stacking energy: -13.794
Base-Backbone interact. energy: -0.000
local terms energy: -22.566465
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -38.346464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.346464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.346464 (E_RNA)
where:
Base-Base interactions energy: -11.515
where: short stacking energy: -9.356
Base-Backbone interact. energy: -0.099
local terms energy: -26.733392
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -39.399393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.399393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.399393 (E_RNA)
where:
Base-Base interactions energy: -14.825
where: short stacking energy: -14.825
Base-Backbone interact. energy: -0.468
local terms energy: -24.105776
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.034
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -32.627119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.627119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.627119 (E_RNA)
where:
Base-Base interactions energy: -11.529
where: short stacking energy: -11.529
Base-Backbone interact. energy: -0.000
local terms energy: -21.097717
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.238
flat angles P-C4'-P energy: -1.402
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -35.445900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.445900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.445900 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.000
local terms energy: -22.838981
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -4.329
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -55.962761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.962761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.962761 (E_RNA)
where:
Base-Base interactions energy: -25.833
where: short stacking energy: -25.833
Base-Backbone interact. energy: -0.000
local terms energy: -30.129398
where:
bonds (distance) C4'-P energy: -5.480
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -5.069
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -53.049949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.049949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.049949 (E_RNA)
where:
Base-Base interactions energy: -21.669
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.000
local terms energy: -31.380652
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -6.864
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: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -38.424125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.424125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.424125 (E_RNA)
where:
Base-Base interactions energy: -12.828
where: short stacking energy: -11.166
Base-Backbone interact. energy: 0.636
local terms energy: -26.231398
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -4.707
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -51.528309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.528309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.528309 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -21.405
Base-Backbone interact. energy: 0.732
local terms energy: -30.854675
where:
bonds (distance) C4'-P energy: -4.175
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.847
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -37.584882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.584882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.584882 (E_RNA)
where:
Base-Base interactions energy: -17.640
where: short stacking energy: -17.640
Base-Backbone interact. energy: -0.153
local terms energy: -19.792063
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -4.014
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: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -33.780793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.780793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.780793 (E_RNA)
where:
Base-Base interactions energy: -10.633
where: short stacking energy: -10.439
Base-Backbone interact. energy: -0.132
local terms energy: -23.015242
where:
bonds (distance) C4'-P energy: -5.616
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -40.206240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.206240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.206240 (E_RNA)
where:
Base-Base interactions energy: -12.944
where: short stacking energy: -12.944
Base-Backbone interact. energy: -0.000
local terms energy: -27.262263
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -4.927
flat angles C4'-P-C4' energy: -6.327
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -38.009799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.009799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.009799 (E_RNA)
where:
Base-Base interactions energy: -14.896
where: short stacking energy: -14.896
Base-Backbone interact. energy: -0.000
local terms energy: -23.113628
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -1.405
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -36.008032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.008032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.008032 (E_RNA)
where:
Base-Base interactions energy: -11.109
where: short stacking energy: -11.109
Base-Backbone interact. energy: -0.000
local terms energy: -24.898941
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -42.494189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.494189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.494189 (E_RNA)
where:
Base-Base interactions energy: -16.547
where: short stacking energy: -16.547
Base-Backbone interact. energy: -0.000
local terms energy: -25.946691
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.029
flat angles C4'-P-C4' energy: -6.369
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -60.197870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.197870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.197870 (E_RNA)
where:
Base-Base interactions energy: -25.518
where: short stacking energy: -25.518
Base-Backbone interact. energy: -0.000
local terms energy: -34.680162
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -8.705
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: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -45.163804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.163804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.163804 (E_RNA)
where:
Base-Base interactions energy: -20.463
where: short stacking energy: -20.463
Base-Backbone interact. energy: -0.015
local terms energy: -24.686229
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -48.348376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.348376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.348376 (E_RNA)
where:
Base-Base interactions energy: -20.730
where: short stacking energy: -17.139
Base-Backbone interact. energy: -0.459
local terms energy: -27.159290
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -3.674
flat angles P-C4'-P energy: -5.265
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: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -38.331449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.331449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.331449 (E_RNA)
where:
Base-Base interactions energy: -11.999
where: short stacking energy: -10.156
Base-Backbone interact. energy: -0.048
local terms energy: -26.284094
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -48.450432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.450432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.450432 (E_RNA)
where:
Base-Base interactions energy: -20.183
where: short stacking energy: -20.183
Base-Backbone interact. energy: -0.000
local terms energy: -28.267019
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -38.401586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.401586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.401586 (E_RNA)
where:
Base-Base interactions energy: -14.832
where: short stacking energy: -14.832
Base-Backbone interact. energy: -0.004
local terms energy: -23.566404
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.841
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -41.179038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.179038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.179038 (E_RNA)
where:
Base-Base interactions energy: -14.563
where: short stacking energy: -14.563
Base-Backbone interact. energy: -0.098
local terms energy: -26.517862
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -34.642904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.642904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.642904 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -12.012
Base-Backbone interact. energy: -0.012
local terms energy: -22.618384
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -3.839
flat angles P-C4'-P energy: -5.918
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: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -38.566392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.566392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.566392 (E_RNA)
where:
Base-Base interactions energy: -16.136
where: short stacking energy: -16.136
Base-Backbone interact. energy: -0.001
local terms energy: -22.429273
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -7.029
flat angles P-C4'-P energy: -1.613
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -36.950776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.950776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.950776 (E_RNA)
where:
Base-Base interactions energy: -13.564
where: short stacking energy: -13.564
Base-Backbone interact. energy: -0.001
local terms energy: -23.385654
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -3.434
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -50.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.629955 (E_RNA)
where:
Base-Base interactions energy: -21.363
where: short stacking energy: -21.363
Base-Backbone interact. energy: -0.001
local terms energy: -29.265317
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -5.511
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: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -58.571387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.571387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.571387 (E_RNA)
where:
Base-Base interactions energy: -26.716
where: short stacking energy: -19.724
Base-Backbone interact. energy: -0.000
local terms energy: -31.855265
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -6.708
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -43.501745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.501745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.501745 (E_RNA)
where:
Base-Base interactions energy: -16.097
where: short stacking energy: -16.097
Base-Backbone interact. energy: -0.001
local terms energy: -27.403527
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -44.465071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.465071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.465071 (E_RNA)
where:
Base-Base interactions energy: -15.591
where: short stacking energy: -15.591
Base-Backbone interact. energy: -0.026
local terms energy: -28.848292
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.684
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -43.297329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.297329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.297329 (E_RNA)
where:
Base-Base interactions energy: -16.983
where: short stacking energy: -16.983
Base-Backbone interact. energy: -0.002
local terms energy: -26.312042
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -6.222
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -37.013766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.013766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.013766 (E_RNA)
where:
Base-Base interactions energy: -12.163
where: short stacking energy: -12.163
Base-Backbone interact. energy: -0.000
local terms energy: -24.850866
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -2.865
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: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -39.582653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.582653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.582653 (E_RNA)
where:
Base-Base interactions energy: -11.902
where: short stacking energy: -11.902
Base-Backbone interact. energy: -0.000
local terms energy: -27.680422
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -5.942
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -4.099
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -41.701197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.701197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.701197 (E_RNA)
where:
Base-Base interactions energy: -13.096
where: short stacking energy: -13.096
Base-Backbone interact. energy: -0.096
local terms energy: -28.509281
where:
bonds (distance) C4'-P energy: -4.961
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -35.334682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.334682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.334682 (E_RNA)
where:
Base-Base interactions energy: -11.540
where: short stacking energy: -11.458
Base-Backbone interact. energy: -0.002
local terms energy: -23.793046
where:
bonds (distance) C4'-P energy: -4.723
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.445
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -3.898
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -33.686967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.686967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.686967 (E_RNA)
where:
Base-Base interactions energy: -13.543
where: short stacking energy: -13.543
Base-Backbone interact. energy: -0.033
local terms energy: -20.110980
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -4.891
flat angles P-C4'-P energy: -1.617
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -48.658127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.658127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.658127 (E_RNA)
where:
Base-Base interactions energy: -19.948
where: short stacking energy: -19.948
Base-Backbone interact. energy: -0.067
local terms energy: -28.643758
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -51.691360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.691360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.691360 (E_RNA)
where:
Base-Base interactions energy: -21.846
where: short stacking energy: -19.972
Base-Backbone interact. energy: -0.000
local terms energy: -29.845083
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -2.553
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: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -46.445655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.445655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.445655 (E_RNA)
where:
Base-Base interactions energy: -19.623
where: short stacking energy: -19.623
Base-Backbone interact. energy: -0.003
local terms energy: -26.819887
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -54.446920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.446920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.446920 (E_RNA)
where:
Base-Base interactions energy: -26.674
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.000
local terms energy: -27.772868
where:
bonds (distance) C4'-P energy: -3.409
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -39.187654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.187654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.187654 (E_RNA)
where:
Base-Base interactions energy: -12.800
where: short stacking energy: -12.800
Base-Backbone interact. energy: -0.015
local terms energy: -26.372208
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -5.941
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -40.145127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.145127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.145127 (E_RNA)
where:
Base-Base interactions energy: -12.733
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.001
local terms energy: -27.410397
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.692
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -41.313641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.313641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.313641 (E_RNA)
where:
Base-Base interactions energy: -16.085
where: short stacking energy: -13.769
Base-Backbone interact. energy: -0.133
local terms energy: -25.095627
where:
bonds (distance) C4'-P energy: -6.187
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.394
flat angles P-C4'-P energy: -3.112
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -36.982307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.982307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.982307 (E_RNA)
where:
Base-Base interactions energy: -10.294
where: short stacking energy: -9.363
Base-Backbone interact. energy: 0.515
local terms energy: -27.202489
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -37.698786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.698786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.698786 (E_RNA)
where:
Base-Base interactions energy: -14.293
where: short stacking energy: -10.299
Base-Backbone interact. energy: -0.071
local terms energy: -23.334576
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -40.868642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.868642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.868642 (E_RNA)
where:
Base-Base interactions energy: -15.866
where: short stacking energy: -15.866
Base-Backbone interact. energy: -0.001
local terms energy: -25.001554
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -1.959
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -55.436269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.436269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.436269 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -27.285
Base-Backbone interact. energy: -0.000
local terms energy: -28.151675
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -2.523
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: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -49.383266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.383266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.383266 (E_RNA)
where:
Base-Base interactions energy: -18.839
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.000
local terms energy: -30.544013
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -51.962227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.962227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.962227 (E_RNA)
where:
Base-Base interactions energy: -19.186
where: short stacking energy: -19.186
Base-Backbone interact. energy: -0.000
local terms energy: -32.776482
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -5.221
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -43.339429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.339429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.339429 (E_RNA)
where:
Base-Base interactions energy: -19.187
where: short stacking energy: -19.187
Base-Backbone interact. energy: 0.517
local terms energy: -24.669804
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -43.813046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.813046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.813046 (E_RNA)
where:
Base-Base interactions energy: -18.456
where: short stacking energy: -18.456
Base-Backbone interact. energy: -0.000
local terms energy: -25.357307
where:
bonds (distance) C4'-P energy: -4.067
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -40.347694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.347694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.347694 (E_RNA)
where:
Base-Base interactions energy: -16.714
where: short stacking energy: -16.714
Base-Backbone interact. energy: -0.000
local terms energy: -23.633218
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.706
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -39.179482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.179482 (E_RNA)
where:
Base-Base interactions energy: -12.511
where: short stacking energy: -12.511
Base-Backbone interact. energy: -0.007
local terms energy: -26.661557
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -3.866
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: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -35.665703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.665703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.665703 (E_RNA)
where:
Base-Base interactions energy: -16.223
where: short stacking energy: -16.223
Base-Backbone interact. energy: -0.000
local terms energy: -19.442525
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.792
flat angles P-C4'-P energy: 1.337
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -35.491346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.491346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.491346 (E_RNA)
where:
Base-Base interactions energy: -11.379
where: short stacking energy: -11.379
Base-Backbone interact. energy: -0.013
local terms energy: -24.099534
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -31.005710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.005710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.005710 (E_RNA)
where:
Base-Base interactions energy: -14.389
where: short stacking energy: -14.389
Base-Backbone interact. energy: -0.046
local terms energy: -16.571161
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -0.665
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -53.533347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.533347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.533347 (E_RNA)
where:
Base-Base interactions energy: -25.990
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.000
local terms energy: -27.542913
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -50.111535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.111535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.111535 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.000
local terms energy: -27.073265
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -43.408432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.408432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.408432 (E_RNA)
where:
Base-Base interactions energy: -20.908
where: short stacking energy: -20.908
Base-Backbone interact. energy: -0.000
local terms energy: -22.500544
where:
bonds (distance) C4'-P energy: -1.340
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -6.000
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: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -44.088372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.088372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.088372 (E_RNA)
where:
Base-Base interactions energy: -15.639
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.016
local terms energy: -28.432826
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -5.320
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -38.291840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.291840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.291840 (E_RNA)
where:
Base-Base interactions energy: -16.907
where: short stacking energy: -16.907
Base-Backbone interact. energy: -0.058
local terms energy: -21.327159
where:
bonds (distance) C4'-P energy: -4.308
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -40.595337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.595337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.595337 (E_RNA)
where:
Base-Base interactions energy: -14.445
where: short stacking energy: -14.445
Base-Backbone interact. energy: -0.000
local terms energy: -26.149993
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -3.593
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -49.183970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.183970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.183970 (E_RNA)
where:
Base-Base interactions energy: -21.312
where: short stacking energy: -21.312
Base-Backbone interact. energy: -0.001
local terms energy: -27.871221
where:
bonds (distance) C4'-P energy: -5.115
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -35.507378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.507378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.507378 (E_RNA)
where:
Base-Base interactions energy: -11.190
where: short stacking energy: -11.190
Base-Backbone interact. energy: -0.000
local terms energy: -24.317009
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -37.791867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.791867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.791867 (E_RNA)
where:
Base-Base interactions energy: -15.262
where: short stacking energy: -15.262
Base-Backbone interact. energy: 0.068
local terms energy: -22.597913
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -4.361
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -34.476493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.476493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.476493 (E_RNA)
where:
Base-Base interactions energy: -9.279
where: short stacking energy: -9.279
Base-Backbone interact. energy: -0.001
local terms energy: -25.196660
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -56.083635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.083635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.083635 (E_RNA)
where:
Base-Base interactions energy: -24.493
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.000
local terms energy: -31.590179
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -49.421888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.421888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.421888 (E_RNA)
where:
Base-Base interactions energy: -20.138
where: short stacking energy: -20.138
Base-Backbone interact. energy: -0.000
local terms energy: -29.283836
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -44.150764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.150764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.150764 (E_RNA)
where:
Base-Base interactions energy: -19.294
where: short stacking energy: -19.294
Base-Backbone interact. energy: -0.812
local terms energy: -24.044832
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -4.388
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -4.103
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: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -40.372760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.372760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.372760 (E_RNA)
where:
Base-Base interactions energy: -15.581
where: short stacking energy: -14.337
Base-Backbone interact. energy: -0.026
local terms energy: -24.766286
where:
bonds (distance) C4'-P energy: -6.580
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -46.616999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.616999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.616999 (E_RNA)
where:
Base-Base interactions energy: -18.832
where: short stacking energy: -18.832
Base-Backbone interact. energy: -0.000
local terms energy: -27.784686
where:
bonds (distance) C4'-P energy: -5.773
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -44.890133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.890133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.890133 (E_RNA)
where:
Base-Base interactions energy: -18.961
where: short stacking energy: -18.961
Base-Backbone interact. energy: -0.018
local terms energy: -25.911141
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -4.336
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -35.995076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.995076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.995076 (E_RNA)
where:
Base-Base interactions energy: -13.653
where: short stacking energy: -12.237
Base-Backbone interact. energy: -0.023
local terms energy: -22.319439
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -36.267601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.267601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.267601 (E_RNA)
where:
Base-Base interactions energy: -12.950
where: short stacking energy: -13.939
Base-Backbone interact. energy: -0.004
local terms energy: -23.313949
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -0.506
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: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -33.832433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.832433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.832433 (E_RNA)
where:
Base-Base interactions energy: -13.039
where: short stacking energy: -12.508
Base-Backbone interact. energy: -0.684
local terms energy: -20.109637
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -0.314
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -34.780208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.780208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.780208 (E_RNA)
where:
Base-Base interactions energy: -13.399
where: short stacking energy: -13.399
Base-Backbone interact. energy: -0.002
local terms energy: -21.378609
where:
bonds (distance) C4'-P energy: -4.838
bonds (distance) P-C4' energy: -2.406
flat angles C4'-P-C4' energy: -6.861
flat angles P-C4'-P energy: -4.979
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -63.003911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.003911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.003911 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.000
local terms energy: -34.406407
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -8.789
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -54.668529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.668529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.668529 (E_RNA)
where:
Base-Base interactions energy: -24.191
where: short stacking energy: -24.191
Base-Backbone interact. energy: -0.000
local terms energy: -30.477363
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -46.801328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.801328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.801328 (E_RNA)
where:
Base-Base interactions energy: -18.251
where: short stacking energy: -18.251
Base-Backbone interact. energy: -0.000
local terms energy: -28.550307
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -40.036551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.036551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.036551 (E_RNA)
where:
Base-Base interactions energy: -17.073
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.000
local terms energy: -22.963907
where:
bonds (distance) C4'-P energy: -4.180
bonds (distance) P-C4' energy: -5.452
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -45.236871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.236871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.236871 (E_RNA)
where:
Base-Base interactions energy: -16.537
where: short stacking energy: -16.537
Base-Backbone interact. energy: -0.031
local terms energy: -28.668771
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.217
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -43.090414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.090414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.090414 (E_RNA)
where:
Base-Base interactions energy: -18.044
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.009
local terms energy: -25.037995
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -40.079530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.079530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.079530 (E_RNA)
where:
Base-Base interactions energy: -15.137
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.021
local terms energy: -24.921505
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -2.042
tors. eta vs tors. theta energy: -2.705
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: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -38.933497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.933497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.933497 (E_RNA)
where:
Base-Base interactions energy: -16.615
where: short stacking energy: -16.615
Base-Backbone interact. energy: -0.041
local terms energy: -22.277428
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -3.603
flat angles C4'-P-C4' energy: -4.814
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -33.167696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.167696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.167696 (E_RNA)
where:
Base-Base interactions energy: -6.821
where: short stacking energy: -6.821
Base-Backbone interact. energy: -0.000
local terms energy: -26.346395
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -36.968685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.968685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.968685 (E_RNA)
where:
Base-Base interactions energy: -12.832
where: short stacking energy: -8.871
Base-Backbone interact. energy: -0.088
local terms energy: -24.048733
where:
bonds (distance) C4'-P energy: -4.709
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -55.561607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.561607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.561607 (E_RNA)
where:
Base-Base interactions energy: -25.746
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.000
local terms energy: -29.815287
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -4.666
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: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -41.979436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.979436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.979436 (E_RNA)
where:
Base-Base interactions energy: -15.819
where: short stacking energy: -15.819
Base-Backbone interact. energy: -0.198
local terms energy: -25.963016
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -43.674896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.674896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.674896 (E_RNA)
where:
Base-Base interactions energy: -19.559
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.001
local terms energy: -24.114520
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -4.639
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -53.641612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.641612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.641612 (E_RNA)
where:
Base-Base interactions energy: -22.130
where: short stacking energy: -21.025
Base-Backbone interact. energy: -0.007
local terms energy: -31.503931
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -7.231
flat angles P-C4'-P energy: -4.478
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: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -46.564490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.564490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.564490 (E_RNA)
where:
Base-Base interactions energy: -19.003
where: short stacking energy: -19.003
Base-Backbone interact. energy: -0.000
local terms energy: -27.561800
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -46.404436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.404436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.404436 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.000
local terms energy: -29.059355
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.542
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -44.157875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.157875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.157875 (E_RNA)
where:
Base-Base interactions energy: -15.466
where: short stacking energy: -15.466
Base-Backbone interact. energy: -0.003
local terms energy: -28.688993
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -5.578
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: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -39.375870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.375870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.375870 (E_RNA)
where:
Base-Base interactions energy: -17.824
where: short stacking energy: -13.698
Base-Backbone interact. energy: -0.011
local terms energy: -21.540536
where:
bonds (distance) C4'-P energy: -3.268
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -2.339
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: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -31.279905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.279905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.279905 (E_RNA)
where:
Base-Base interactions energy: -6.852
where: short stacking energy: -5.176
Base-Backbone interact. energy: -0.003
local terms energy: -24.424152
where:
bonds (distance) C4'-P energy: -4.349
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -31.476415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.476415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.476415 (E_RNA)
where:
Base-Base interactions energy: -10.074
where: short stacking energy: -10.074
Base-Backbone interact. energy: 0.357
local terms energy: -21.759571
where:
bonds (distance) C4'-P energy: -3.203
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -52.646886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.646886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.646886 (E_RNA)
where:
Base-Base interactions energy: -22.544
where: short stacking energy: -22.544
Base-Backbone interact. energy: -0.000
local terms energy: -30.102507
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -52.465353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.465353 (E_RNA)
where:
Base-Base interactions energy: -21.821
where: short stacking energy: -21.821
Base-Backbone interact. energy: -0.000
local terms energy: -30.644711
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.894
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -49.139283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.139283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.139283 (E_RNA)
where:
Base-Base interactions energy: -20.440
where: short stacking energy: -20.440
Base-Backbone interact. energy: -0.000
local terms energy: -28.699361
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -5.411
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -39.622923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.622923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.622923 (E_RNA)
where:
Base-Base interactions energy: -15.258
where: short stacking energy: -14.696
Base-Backbone interact. energy: -0.035
local terms energy: -24.330407
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.064
flat angles P-C4'-P energy: -2.666
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -38.585929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.585929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.585929 (E_RNA)
where:
Base-Base interactions energy: -14.520
where: short stacking energy: -14.520
Base-Backbone interact. energy: -0.000
local terms energy: -24.065865
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -37.209847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.209847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.209847 (E_RNA)
where:
Base-Base interactions energy: -13.264
where: short stacking energy: -13.264
Base-Backbone interact. energy: -0.002
local terms energy: -23.944098
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -5.497
flat angles P-C4'-P energy: -2.313
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: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -41.156495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.156495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.156495 (E_RNA)
where:
Base-Base interactions energy: -15.762
where: short stacking energy: -15.762
Base-Backbone interact. energy: -0.001
local terms energy: -25.393345
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -34.730159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.730159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.730159 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.979
Base-Backbone interact. energy: -0.003
local terms energy: -22.747795
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -34.362658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.362658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.362658 (E_RNA)
where:
Base-Base interactions energy: -9.765
where: short stacking energy: -9.765
Base-Backbone interact. energy: -0.023
local terms energy: -24.574857
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -3.627
flat angles P-C4'-P energy: -5.430
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: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -37.161547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.161547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.161547 (E_RNA)
where:
Base-Base interactions energy: -15.378
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.217
local terms energy: -21.566661
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.368
flat angles P-C4'-P energy: -4.657
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: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -53.787837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.787837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.787837 (E_RNA)
where:
Base-Base interactions energy: -25.862
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.001
local terms energy: -27.924742
where:
bonds (distance) C4'-P energy: -3.878
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -51.323660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.323660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.323660 (E_RNA)
where:
Base-Base interactions energy: -25.320
where: short stacking energy: -25.320
Base-Backbone interact. energy: -0.000
local terms energy: -26.003816
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -5.328
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: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -42.221678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.221678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.221678 (E_RNA)
where:
Base-Base interactions energy: -17.794
where: short stacking energy: -17.794
Base-Backbone interact. energy: -0.029
local terms energy: -24.398464
where:
bonds (distance) C4'-P energy: -4.950
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.871
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -52.990860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.990860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.990860 (E_RNA)
where:
Base-Base interactions energy: -26.464
where: short stacking energy: -26.464
Base-Backbone interact. energy: -0.000
local terms energy: -26.526452
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -7.410
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -42.082607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.082607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.082607 (E_RNA)
where:
Base-Base interactions energy: -16.330
where: short stacking energy: -16.268
Base-Backbone interact. energy: -0.009
local terms energy: -25.743502
where:
bonds (distance) C4'-P energy: -5.765
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -1.136
tors. eta vs tors. theta energy: -6.000
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: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -40.346594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.346594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.346594 (E_RNA)
where:
Base-Base interactions energy: -17.433
where: short stacking energy: -17.433
Base-Backbone interact. energy: 1.769
local terms energy: -24.682866
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: 0.460
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -36.912131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.912131 (E_RNA)
where:
Base-Base interactions energy: -15.166
where: short stacking energy: -13.381
Base-Backbone interact. energy: -0.001
local terms energy: -21.745521
where:
bonds (distance) C4'-P energy: -0.967
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -5.615
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -42.917635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.917635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.917635 (E_RNA)
where:
Base-Base interactions energy: -13.991
where: short stacking energy: -13.991
Base-Backbone interact. energy: -0.000
local terms energy: -28.926836
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -2.631
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -37.132473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.132473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.132473 (E_RNA)
where:
Base-Base interactions energy: -15.329
where: short stacking energy: -15.329
Base-Backbone interact. energy: -0.001
local terms energy: -21.801984
where:
bonds (distance) C4'-P energy: -4.357
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -0.340
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -33.808157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.808157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.808157 (E_RNA)
where:
Base-Base interactions energy: -9.768
where: short stacking energy: -9.235
Base-Backbone interact. energy: -0.002
local terms energy: -24.038396
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -4.814
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -3.778
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -51.816118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.816118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.816118 (E_RNA)
where:
Base-Base interactions energy: -23.318
where: short stacking energy: -23.318
Base-Backbone interact. energy: -0.001
local terms energy: -28.497130
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -52.528079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.528079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.528079 (E_RNA)
where:
Base-Base interactions energy: -22.379
where: short stacking energy: -22.379
Base-Backbone interact. energy: -0.095
local terms energy: -30.054748
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -6.200
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -4.339
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: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -55.289183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.289183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.289183 (E_RNA)
where:
Base-Base interactions energy: -25.604
where: short stacking energy: -25.604
Base-Backbone interact. energy: -0.000
local terms energy: -29.685594
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.906
flat angles C4'-P-C4' energy: -6.820
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -41.025476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.025476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.025476 (E_RNA)
where:
Base-Base interactions energy: -14.319
where: short stacking energy: -14.319
Base-Backbone interact. energy: -0.000
local terms energy: -26.706583
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -45.507216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.507216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.507216 (E_RNA)
where:
Base-Base interactions energy: -18.933
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.000
local terms energy: -26.573677
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -5.452
flat angles P-C4'-P energy: -3.807
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -45.413634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.413634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.413634 (E_RNA)
where:
Base-Base interactions energy: -20.022
where: short stacking energy: -20.022
Base-Backbone interact. energy: -0.000
local terms energy: -25.391468
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -4.019
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: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -36.256309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.256309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.256309 (E_RNA)
where:
Base-Base interactions energy: -17.118
where: short stacking energy: -17.118
Base-Backbone interact. energy: -0.464
local terms energy: -18.674501
where:
bonds (distance) C4'-P energy: -3.048
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -4.756
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: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -35.470549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.470549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.470549 (E_RNA)
where:
Base-Base interactions energy: -12.696
where: short stacking energy: -11.469
Base-Backbone interact. energy: -0.000
local terms energy: -22.774657
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -1.890
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: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -32.447225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.447225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.447225 (E_RNA)
where:
Base-Base interactions energy: -8.297
where: short stacking energy: -8.297
Base-Backbone interact. energy: -0.001
local terms energy: -24.149400
where:
bonds (distance) C4'-P energy: -4.589
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -31.759396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.759396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.759396 (E_RNA)
where:
Base-Base interactions energy: -11.947
where: short stacking energy: -10.311
Base-Backbone interact. energy: 0.524
local terms energy: -20.336533
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -4.737
flat angles C4'-P-C4' energy: -2.551
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -57.970620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.970620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.970620 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.000
local terms energy: -32.110252
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -45.939511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.939511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.939511 (E_RNA)
where:
Base-Base interactions energy: -19.786
where: short stacking energy: -19.031
Base-Backbone interact. energy: -0.869
local terms energy: -25.285016
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.355
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -0.334
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -47.956162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.956162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.956162 (E_RNA)
where:
Base-Base interactions energy: -23.826
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.000
local terms energy: -24.130470
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: 0.927
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -46.009065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.009065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.009065 (E_RNA)
where:
Base-Base interactions energy: -22.689
where: short stacking energy: -22.689
Base-Backbone interact. energy: -0.002
local terms energy: -23.317766
where:
bonds (distance) C4'-P energy: -3.550
bonds (distance) P-C4' energy: -3.703
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -45.540816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.540816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.540816 (E_RNA)
where:
Base-Base interactions energy: -18.332
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.001
local terms energy: -27.207103
where:
bonds (distance) C4'-P energy: -3.401
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -38.774081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.774081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.774081 (E_RNA)
where:
Base-Base interactions energy: -15.837
where: short stacking energy: -14.856
Base-Backbone interact. energy: -0.006
local terms energy: -22.930962
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -0.648
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: 126
Temperature: 1.200000
Total energy: -41.829190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.829190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.829190 (E_RNA)
where:
Base-Base interactions energy: -17.017
where: short stacking energy: -17.017
Base-Backbone interact. energy: -0.003
local terms energy: -24.809312
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -41.931937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.931937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.931937 (E_RNA)
where:
Base-Base interactions energy: -15.692
where: short stacking energy: -15.692
Base-Backbone interact. energy: -0.000
local terms energy: -26.240069
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -42.825459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.825459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.825459 (E_RNA)
where:
Base-Base interactions energy: -15.123
where: short stacking energy: -15.123
Base-Backbone interact. energy: -0.007
local terms energy: -27.695385
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -5.484
flat angles C4'-P-C4' energy: -6.720
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -34.314481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.314481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.314481 (E_RNA)
where:
Base-Base interactions energy: -11.749
where: short stacking energy: -11.749
Base-Backbone interact. energy: -0.053
local terms energy: -22.512486
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -4.128
flat angles P-C4'-P energy: -4.471
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: 127
Temperature: 0.900000
Total energy: -60.802950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.802950 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.000
local terms energy: -33.490811
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -2.696
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -52.301516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.301516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.301516 (E_RNA)
where:
Base-Base interactions energy: -24.056
where: short stacking energy: -24.056
Base-Backbone interact. energy: -0.000
local terms energy: -28.245803
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.569
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -46.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.146215 (E_RNA)
where:
Base-Base interactions energy: -16.922
where: short stacking energy: -16.922
Base-Backbone interact. energy: -0.076
local terms energy: -29.148187
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -43.922769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.922769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.922769 (E_RNA)
where:
Base-Base interactions energy: -15.866
where: short stacking energy: -13.566
Base-Backbone interact. energy: -0.565
local terms energy: -27.492357
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -42.719408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.719408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.719408 (E_RNA)
where:
Base-Base interactions energy: -17.741
where: short stacking energy: -17.741
Base-Backbone interact. energy: -0.000
local terms energy: -24.978010
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -3.917
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -3.785
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: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -39.963724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.963724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.963724 (E_RNA)
where:
Base-Base interactions energy: -13.654
where: short stacking energy: -11.772
Base-Backbone interact. energy: -0.030
local terms energy: -26.280520
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -33.041972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.041972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.041972 (E_RNA)
where:
Base-Base interactions energy: -9.726
where: short stacking energy: -8.973
Base-Backbone interact. energy: -0.084
local terms energy: -23.231717
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -1.908
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -39.051557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.051557 (E_RNA)
where:
Base-Base interactions energy: -13.182
where: short stacking energy: -11.896
Base-Backbone interact. energy: -0.009
local terms energy: -25.860557
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -6.222
flat angles C4'-P-C4' energy: -6.541
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -37.767842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.767842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.767842 (E_RNA)
where:
Base-Base interactions energy: -15.312
where: short stacking energy: -15.312
Base-Backbone interact. energy: -0.000
local terms energy: -22.455542
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.120
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -40.779441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.779441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.779441 (E_RNA)
where:
Base-Base interactions energy: -13.517
where: short stacking energy: -13.517
Base-Backbone interact. energy: -0.000
local terms energy: -27.262609
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -4.601
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -5.985
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: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -50.258299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.258299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.258299 (E_RNA)
where:
Base-Base interactions energy: -20.894
where: short stacking energy: -20.894
Base-Backbone interact. energy: -0.000
local terms energy: -29.364367
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -45.945976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.945976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.945976 (E_RNA)
where:
Base-Base interactions energy: -18.029
where: short stacking energy: -18.029
Base-Backbone interact. energy: -0.060
local terms energy: -27.856767
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -4.264
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -3.676
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: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -53.163853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.163853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.163853 (E_RNA)
where:
Base-Base interactions energy: -25.232
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.000
local terms energy: -27.931339
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.006
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -45.626953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.626953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.626953 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -20.583
Base-Backbone interact. energy: -0.009
local terms energy: -25.035339
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -50.755463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.755463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.755463 (E_RNA)
where:
Base-Base interactions energy: -20.586
where: short stacking energy: -20.586
Base-Backbone interact. energy: -0.000
local terms energy: -30.169521
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.627
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -49.299463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.299463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.299463 (E_RNA)
where:
Base-Base interactions energy: -19.722
where: short stacking energy: -19.722
Base-Backbone interact. energy: -0.845
local terms energy: -28.732413
where:
bonds (distance) C4'-P energy: -4.870
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -6.911
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: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -44.425041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.425041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.425041 (E_RNA)
where:
Base-Base interactions energy: -17.209
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.000
local terms energy: -27.216156
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -37.969644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.969644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.969644 (E_RNA)
where:
Base-Base interactions energy: -17.249
where: short stacking energy: -14.851
Base-Backbone interact. energy: 0.523
local terms energy: -21.243595
where:
bonds (distance) C4'-P energy: -4.866
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -2.920
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -39.415016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.415016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.415016 (E_RNA)
where:
Base-Base interactions energy: -11.015
where: short stacking energy: -11.015
Base-Backbone interact. energy: -0.001
local terms energy: -28.398157
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -32.885712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.885712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.885712 (E_RNA)
where:
Base-Base interactions energy: -10.778
where: short stacking energy: -8.094
Base-Backbone interact. energy: -0.000
local terms energy: -22.107526
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -50.310849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.310849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.310849 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -22.614
Base-Backbone interact. energy: -0.000
local terms energy: -27.696951
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -6.315
flat angles C4'-P-C4' energy: -6.088
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -47.744324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.744324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.744324 (E_RNA)
where:
Base-Base interactions energy: -21.911
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.000
local terms energy: -25.833280
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.053
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -3.816
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: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -46.511266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.511266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.511266 (E_RNA)
where:
Base-Base interactions energy: -20.225
where: short stacking energy: -20.225
Base-Backbone interact. energy: -0.001
local terms energy: -26.285199
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -2.324
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: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -46.590895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.590895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.590895 (E_RNA)
where:
Base-Base interactions energy: -19.685
where: short stacking energy: -19.685
Base-Backbone interact. energy: -0.003
local terms energy: -26.902328
where:
bonds (distance) C4'-P energy: -5.935
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.294
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -39.045146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.045146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.045146 (E_RNA)
where:
Base-Base interactions energy: -12.115
where: short stacking energy: -12.115
Base-Backbone interact. energy: -0.001
local terms energy: -26.928760
where:
bonds (distance) C4'-P energy: -4.477
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -43.375152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.375152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.375152 (E_RNA)
where:
Base-Base interactions energy: -20.249
where: short stacking energy: -17.363
Base-Backbone interact. energy: -0.148
local terms energy: -22.978270
where:
bonds (distance) C4'-P energy: -4.722
bonds (distance) P-C4' energy: -4.473
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -4.244
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: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -41.526669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.526669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.526669 (E_RNA)
where:
Base-Base interactions energy: -17.165
where: short stacking energy: -17.165
Base-Backbone interact. energy: -0.014
local terms energy: -24.347779
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.965
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -35.906787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.906787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.906787 (E_RNA)
where:
Base-Base interactions energy: -12.909
where: short stacking energy: -12.909
Base-Backbone interact. energy: 0.429
local terms energy: -23.426755
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -3.404
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -40.376836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.376836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.376836 (E_RNA)
where:
Base-Base interactions energy: -13.262
where: short stacking energy: -13.262
Base-Backbone interact. energy: 1.562
local terms energy: -28.677090
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -35.816027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.816027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.816027 (E_RNA)
where:
Base-Base interactions energy: -11.867
where: short stacking energy: -11.867
Base-Backbone interact. energy: -0.000
local terms energy: -23.949319
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.163
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -50.247320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.247320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.247320 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.000
local terms energy: -30.287965
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -4.956
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: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -50.448410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.448410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.448410 (E_RNA)
where:
Base-Base interactions energy: -22.246
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.100
local terms energy: -28.102903
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -5.380
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: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -47.763571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.763571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.763571 (E_RNA)
where:
Base-Base interactions energy: -22.422
where: short stacking energy: -18.057
Base-Backbone interact. energy: -0.580
local terms energy: -24.761299
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: -3.850
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: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -42.220521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.220521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.220521 (E_RNA)
where:
Base-Base interactions energy: -20.472
where: short stacking energy: -20.062
Base-Backbone interact. energy: -0.002
local terms energy: -21.746327
where:
bonds (distance) C4'-P energy: -2.137
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -45.451447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.451447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.451447 (E_RNA)
where:
Base-Base interactions energy: -21.302
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.021
local terms energy: -24.128495
where:
bonds (distance) C4'-P energy: -4.784
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -37.438527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.438527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.438527 (E_RNA)
where:
Base-Base interactions energy: -11.472
where: short stacking energy: -11.472
Base-Backbone interact. energy: -0.020
local terms energy: -25.946878
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -4.441
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -43.319729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.319729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.319729 (E_RNA)
where:
Base-Base interactions energy: -16.760
where: short stacking energy: -16.634
Base-Backbone interact. energy: -0.045
local terms energy: -26.514446
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -2.104
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: 130
Temperature: 1.250000
Total energy: -43.000527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.000527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.000527 (E_RNA)
where:
Base-Base interactions energy: -22.330
where: short stacking energy: -22.330
Base-Backbone interact. energy: -0.001
local terms energy: -20.670026
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -4.799
flat angles C4'-P-C4' energy: -4.583
flat angles P-C4'-P energy: 1.492
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -35.664469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.664469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.664469 (E_RNA)
where:
Base-Base interactions energy: -11.667
where: short stacking energy: -11.011
Base-Backbone interact. energy: -0.064
local terms energy: -23.933933
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -0.565
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: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -37.702277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.702277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.702277 (E_RNA)
where:
Base-Base interactions energy: -12.334
where: short stacking energy: -11.283
Base-Backbone interact. energy: -0.000
local terms energy: -25.368174
where:
bonds (distance) C4'-P energy: -4.092
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -49.953403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.953403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.953403 (E_RNA)
where:
Base-Base interactions energy: -24.349
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.000
local terms energy: -25.603730
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -4.612
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -43.896060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.896060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.896060 (E_RNA)
where:
Base-Base interactions energy: -18.593
where: short stacking energy: -16.489
Base-Backbone interact. energy: -0.000
local terms energy: -25.303156
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.266
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -47.563769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.563769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.563769 (E_RNA)
where:
Base-Base interactions energy: -19.822
where: short stacking energy: -19.822
Base-Backbone interact. energy: -0.032
local terms energy: -27.709648
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -40.101124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.101124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.101124 (E_RNA)
where:
Base-Base interactions energy: -16.987
where: short stacking energy: -16.283
Base-Backbone interact. energy: -0.020
local terms energy: -23.094145
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -6.311
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -43.472518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.472518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.472518 (E_RNA)
where:
Base-Base interactions energy: -17.443
where: short stacking energy: -17.443
Base-Backbone interact. energy: -0.061
local terms energy: -25.968667
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -3.727
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -37.241799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.241799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.241799 (E_RNA)
where:
Base-Base interactions energy: -13.733
where: short stacking energy: -13.733
Base-Backbone interact. energy: -0.363
local terms energy: -23.145448
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -38.668608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.668608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.668608 (E_RNA)
where:
Base-Base interactions energy: -14.864
where: short stacking energy: -13.961
Base-Backbone interact. energy: -0.007
local terms energy: -23.797696
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -38.024487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.024487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.024487 (E_RNA)
where:
Base-Base interactions energy: -15.907
where: short stacking energy: -15.907
Base-Backbone interact. energy: -0.018
local terms energy: -22.099099
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -2.153
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -34.466549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.466549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.466549 (E_RNA)
where:
Base-Base interactions energy: -13.641
where: short stacking energy: -10.584
Base-Backbone interact. energy: -0.004
local terms energy: -20.822151
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -5.858
flat angles C4'-P-C4' energy: -7.110
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -0.204
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: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -36.325828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.325828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.325828 (E_RNA)
where:
Base-Base interactions energy: -11.434
where: short stacking energy: -11.434
Base-Backbone interact. energy: -0.181
local terms energy: -24.710508
where:
bonds (distance) C4'-P energy: -3.657
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -57.708675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.708675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.708675 (E_RNA)
where:
Base-Base interactions energy: -26.308
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.000
local terms energy: -31.401059
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -50.023777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.023777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.023777 (E_RNA)
where:
Base-Base interactions energy: -21.248
where: short stacking energy: -21.248
Base-Backbone interact. energy: -0.000
local terms energy: -28.775543
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -54.162113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.162113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.162113 (E_RNA)
where:
Base-Base interactions energy: -24.021
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.000
local terms energy: -30.141313
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -4.935
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -43.730331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.730331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.730331 (E_RNA)
where:
Base-Base interactions energy: -18.459
where: short stacking energy: -18.459
Base-Backbone interact. energy: -0.002
local terms energy: -25.270070
where:
bonds (distance) C4'-P energy: -4.726
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -44.867336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.867336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.867336 (E_RNA)
where:
Base-Base interactions energy: -18.376
where: short stacking energy: -18.376
Base-Backbone interact. energy: -0.000
local terms energy: -26.491354
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -5.835
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: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -39.592005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.592005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.592005 (E_RNA)
where:
Base-Base interactions energy: -18.435
where: short stacking energy: -16.319
Base-Backbone interact. energy: -0.078
local terms energy: -21.078647
where:
bonds (distance) C4'-P energy: -1.907
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -44.213747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.213747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.213747 (E_RNA)
where:
Base-Base interactions energy: -18.110
where: short stacking energy: -18.110
Base-Backbone interact. energy: -0.000
local terms energy: -26.104174
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -4.296
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: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -40.395813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.395813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.395813 (E_RNA)
where:
Base-Base interactions energy: -15.319
where: short stacking energy: -15.319
Base-Backbone interact. energy: -0.000
local terms energy: -25.076621
where:
bonds (distance) C4'-P energy: -5.110
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -34.090902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.090902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.090902 (E_RNA)
where:
Base-Base interactions energy: -13.207
where: short stacking energy: -13.207
Base-Backbone interact. energy: -0.117
local terms energy: -20.766714
where:
bonds (distance) C4'-P energy: -4.785
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -5.899
flat angles P-C4'-P energy: -2.008
tors. eta vs tors. theta energy: -2.269
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -31.590347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.590347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.590347 (E_RNA)
where:
Base-Base interactions energy: -13.807
where: short stacking energy: -11.127
Base-Backbone interact. energy: -0.079
local terms energy: -17.704645
where:
bonds (distance) C4'-P energy: -3.464
bonds (distance) P-C4' energy: -5.075
flat angles C4'-P-C4' energy: -3.331
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -1.275
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: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -55.453654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.453654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.453654 (E_RNA)
where:
Base-Base interactions energy: -25.160
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.000
local terms energy: -30.293800
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.611
flat angles P-C4'-P energy: -2.552
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: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -50.433007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.433007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.433007 (E_RNA)
where:
Base-Base interactions energy: -20.827
where: short stacking energy: -20.653
Base-Backbone interact. energy: -0.000
local terms energy: -29.605708
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -5.755
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -7.394
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: 133
Temperature: 1.000000
Total energy: -43.008585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.008585 (E_RNA)
where:
Base-Base interactions energy: -15.279
where: short stacking energy: -15.279
Base-Backbone interact. energy: -0.000
local terms energy: -27.729175
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -41.227465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.227465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.227465 (E_RNA)
where:
Base-Base interactions energy: -15.718
where: short stacking energy: -14.154
Base-Backbone interact. energy: 0.460
local terms energy: -25.969546
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.293
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -40.221036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.221036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.221036 (E_RNA)
where:
Base-Base interactions energy: -13.937
where: short stacking energy: -13.192
Base-Backbone interact. energy: -0.100
local terms energy: -26.184285
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -5.794
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -40.819104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.819104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.819104 (E_RNA)
where:
Base-Base interactions energy: -16.402
where: short stacking energy: -16.402
Base-Backbone interact. energy: -0.001
local terms energy: -24.416973
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -39.819564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.819564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.819564 (E_RNA)
where:
Base-Base interactions energy: -18.096
where: short stacking energy: -10.110
Base-Backbone interact. energy: -0.016
local terms energy: -21.707188
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -4.200
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -4.027
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: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -38.180704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.180704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.180704 (E_RNA)
where:
Base-Base interactions energy: -12.585
where: short stacking energy: -12.585
Base-Backbone interact. energy: -0.088
local terms energy: -25.508222
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -2.382
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -3.937
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -35.953927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.953927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.953927 (E_RNA)
where:
Base-Base interactions energy: -18.644
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.000
local terms energy: -17.310072
where:
bonds (distance) C4'-P energy: -2.481
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -3.476
flat angles P-C4'-P energy: -1.365
tors. eta vs tors. theta energy: -2.652
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: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -32.746684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.746684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.746684 (E_RNA)
where:
Base-Base interactions energy: -12.261
where: short stacking energy: -12.261
Base-Backbone interact. energy: -0.008
local terms energy: -20.477518
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -3.902
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -58.021908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.021908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.021908 (E_RNA)
where:
Base-Base interactions energy: -25.852
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.000
local terms energy: -32.169751
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.209
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -52.580001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.580001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.580001 (E_RNA)
where:
Base-Base interactions energy: -21.657
where: short stacking energy: -21.657
Base-Backbone interact. energy: -0.000
local terms energy: -30.922574
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -56.397644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.397644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.397644 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -22.848
Base-Backbone interact. energy: -0.000
local terms energy: -33.549672
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -40.192385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.192385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.192385 (E_RNA)
where:
Base-Base interactions energy: -18.569
where: short stacking energy: -13.545
Base-Backbone interact. energy: -0.029
local terms energy: -21.594181
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -5.842
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -43.416602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.416602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.416602 (E_RNA)
where:
Base-Base interactions energy: -13.402
where: short stacking energy: -13.402
Base-Backbone interact. energy: -0.007
local terms energy: -30.007060
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -3.935
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: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -35.472179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.472179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.472179 (E_RNA)
where:
Base-Base interactions energy: -9.998
where: short stacking energy: -9.998
Base-Backbone interact. energy: -0.051
local terms energy: -25.423842
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -4.843
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: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -38.761088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.761088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.761088 (E_RNA)
where:
Base-Base interactions energy: -15.636
where: short stacking energy: -15.636
Base-Backbone interact. energy: -0.123
local terms energy: -23.002084
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -33.972561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.972561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.972561 (E_RNA)
where:
Base-Base interactions energy: -7.459
where: short stacking energy: -7.459
Base-Backbone interact. energy: -0.007
local terms energy: -26.506920
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -38.264974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.264974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.264974 (E_RNA)
where:
Base-Base interactions energy: -13.136
where: short stacking energy: -9.554
Base-Backbone interact. energy: 0.451
local terms energy: -25.579941
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -45.803741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.803741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.803741 (E_RNA)
where:
Base-Base interactions energy: -17.800
where: short stacking energy: -17.800
Base-Backbone interact. energy: -0.000
local terms energy: -28.003393
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -4.927
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -3.410
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -61.123540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.123540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.123540 (E_RNA)
where:
Base-Base interactions energy: -28.041
where: short stacking energy: -28.041
Base-Backbone interact. energy: -0.000
local terms energy: -33.082235
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.640
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -47.734676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.734676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.734676 (E_RNA)
where:
Base-Base interactions energy: -21.592
where: short stacking energy: -20.632
Base-Backbone interact. energy: 0.604
local terms energy: -26.745837
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -47.043990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.043990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.043990 (E_RNA)
where:
Base-Base interactions energy: -21.004
where: short stacking energy: -19.232
Base-Backbone interact. energy: -0.001
local terms energy: -26.038487
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -42.334908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.334908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.334908 (E_RNA)
where:
Base-Base interactions energy: -16.321
where: short stacking energy: -16.321
Base-Backbone interact. energy: -0.001
local terms energy: -26.012954
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -2.216
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: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -52.722634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.722634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.722634 (E_RNA)
where:
Base-Base interactions energy: -21.381
where: short stacking energy: -19.392
Base-Backbone interact. energy: 0.299
local terms energy: -31.640424
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -43.068937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.068937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.068937 (E_RNA)
where:
Base-Base interactions energy: -17.931
where: short stacking energy: -17.931
Base-Backbone interact. energy: -0.127
local terms energy: -25.010443
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -42.066730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.066730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.066730 (E_RNA)
where:
Base-Base interactions energy: -19.581
where: short stacking energy: -16.471
Base-Backbone interact. energy: -0.001
local terms energy: -22.484859
where:
bonds (distance) C4'-P energy: -3.505
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -41.790253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.790253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.790253 (E_RNA)
where:
Base-Base interactions energy: -18.987
where: short stacking energy: -12.941
Base-Backbone interact. energy: -0.309
local terms energy: -22.494594
where:
bonds (distance) C4'-P energy: -4.845
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -5.632
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -2.007
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: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -39.957260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.957260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.957260 (E_RNA)
where:
Base-Base interactions energy: -16.009
where: short stacking energy: -16.009
Base-Backbone interact. energy: 0.408
local terms energy: -24.356960
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.950
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -33.590369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.590369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.590369 (E_RNA)
where:
Base-Base interactions energy: -12.520
where: short stacking energy: -8.612
Base-Backbone interact. energy: -0.000
local terms energy: -21.069878
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -3.216
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -49.891975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.891975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.891975 (E_RNA)
where:
Base-Base interactions energy: -19.919
where: short stacking energy: -19.919
Base-Backbone interact. energy: -0.000
local terms energy: -29.973249
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -7.011
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -51.434905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.434905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.434905 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -23.775
Base-Backbone interact. energy: -0.000
local terms energy: -27.660202
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -52.319617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.319617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.319617 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -22.736
Base-Backbone interact. energy: 0.511
local terms energy: -27.413408
where:
bonds (distance) C4'-P energy: -3.285
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -51.480616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.480616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.480616 (E_RNA)
where:
Base-Base interactions energy: -24.236
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.000
local terms energy: -27.244671
where:
bonds (distance) C4'-P energy: -4.544
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -40.267386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.267386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.267386 (E_RNA)
where:
Base-Base interactions energy: -14.664
where: short stacking energy: -13.155
Base-Backbone interact. energy: -0.005
local terms energy: -25.598181
where:
bonds (distance) C4'-P energy: -5.124
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -4.656
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -50.886911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.886911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.886911 (E_RNA)
where:
Base-Base interactions energy: -19.878
where: short stacking energy: -19.878
Base-Backbone interact. energy: -0.000
local terms energy: -31.008634
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -38.150538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.150538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.150538 (E_RNA)
where:
Base-Base interactions energy: -17.966
where: short stacking energy: -17.966
Base-Backbone interact. energy: -0.017
local terms energy: -20.168025
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -1.636
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -37.661758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.661758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.661758 (E_RNA)
where:
Base-Base interactions energy: -13.966
where: short stacking energy: -13.966
Base-Backbone interact. energy: -0.000
local terms energy: -23.695731
where:
bonds (distance) C4'-P energy: -3.326
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.093
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -38.382391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.382391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.382391 (E_RNA)
where:
Base-Base interactions energy: -14.692
where: short stacking energy: -13.985
Base-Backbone interact. energy: -0.004
local terms energy: -23.685700
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -34.178254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.178254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.178254 (E_RNA)
where:
Base-Base interactions energy: -12.963
where: short stacking energy: -10.402
Base-Backbone interact. energy: -0.009
local terms energy: -21.206219
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -56.849999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.849999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.849999 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -24.916
Base-Backbone interact. energy: -0.000
local terms energy: -29.178305
where:
bonds (distance) C4'-P energy: -4.207
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -5.825
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -51.891865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.891865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.891865 (E_RNA)
where:
Base-Base interactions energy: -22.808
where: short stacking energy: -22.808
Base-Backbone interact. energy: -0.000
local terms energy: -29.083859
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -52.949463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.949463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.949463 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.000
local terms energy: -25.500353
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -2.920
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -41.727967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.727967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.727967 (E_RNA)
where:
Base-Base interactions energy: -17.610
where: short stacking energy: -15.882
Base-Backbone interact. energy: -0.001
local terms energy: -24.117161
where:
bonds (distance) C4'-P energy: -4.002
bonds (distance) P-C4' energy: -4.140
flat angles C4'-P-C4' energy: -6.581
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -37.444681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.444681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.444681 (E_RNA)
where:
Base-Base interactions energy: -10.579
where: short stacking energy: -10.579
Base-Backbone interact. energy: -0.000
local terms energy: -26.866029
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -40.220481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.220481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.220481 (E_RNA)
where:
Base-Base interactions energy: -20.346
where: short stacking energy: -17.937
Base-Backbone interact. energy: -0.321
local terms energy: -19.553797
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -3.244
flat angles C4'-P-C4' energy: -5.045
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -37.257192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.257192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.257192 (E_RNA)
where:
Base-Base interactions energy: -13.852
where: short stacking energy: -13.852
Base-Backbone interact. energy: -0.000
local terms energy: -23.405086
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -39.017302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.017302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.017302 (E_RNA)
where:
Base-Base interactions energy: -16.549
where: short stacking energy: -16.549
Base-Backbone interact. energy: -0.000
local terms energy: -22.468194
where:
bonds (distance) C4'-P energy: -1.456
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.565
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -34.434071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.434071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.434071 (E_RNA)
where:
Base-Base interactions energy: -15.993
where: short stacking energy: -15.993
Base-Backbone interact. energy: 3.061
local terms energy: -21.502021
where:
bonds (distance) C4'-P energy: -4.590
bonds (distance) P-C4' energy: -4.240
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -34.240558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.240558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.240558 (E_RNA)
where:
Base-Base interactions energy: -10.555
where: short stacking energy: -10.555
Base-Backbone interact. energy: -0.019
local terms energy: -23.666684
where:
bonds (distance) C4'-P energy: -3.426
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -51.808081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.808081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.808081 (E_RNA)
where:
Base-Base interactions energy: -21.202
where: short stacking energy: -20.154
Base-Backbone interact. energy: -0.991
local terms energy: -29.615654
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -42.289523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.289523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.289523 (E_RNA)
where:
Base-Base interactions energy: -15.370
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.000
local terms energy: -26.919231
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -62.149807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.149807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.149807 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -28.343
Base-Backbone interact. energy: -0.000
local terms energy: -33.806462
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -37.522051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.522051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.522051 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -15.966
Base-Backbone interact. energy: -0.003
local terms energy: -20.603648
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -3.818
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -42.581601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.581601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.581601 (E_RNA)
where:
Base-Base interactions energy: -16.615
where: short stacking energy: -16.615
Base-Backbone interact. energy: -0.000
local terms energy: -25.966514
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: 2.136
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -40.292612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292612 (E_RNA)
where:
Base-Base interactions energy: -16.795
where: short stacking energy: -16.795
Base-Backbone interact. energy: -0.001
local terms energy: -23.496679
where:
bonds (distance) C4'-P energy: -0.851
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -39.528154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.528154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.528154 (E_RNA)
where:
Base-Base interactions energy: -18.997
where: short stacking energy: -13.130
Base-Backbone interact. energy: -0.066
local terms energy: -20.465529
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -1.923
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -38.314965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.314965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.314965 (E_RNA)
where:
Base-Base interactions energy: -17.050
where: short stacking energy: -17.050
Base-Backbone interact. energy: -0.002
local terms energy: -21.263568
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -4.701
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -33.116237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.116237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.116237 (E_RNA)
where:
Base-Base interactions energy: -11.879
where: short stacking energy: -9.591
Base-Backbone interact. energy: 1.691
local terms energy: -22.928458
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -40.021008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.021008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.021008 (E_RNA)
where:
Base-Base interactions energy: -17.123
where: short stacking energy: -16.590
Base-Backbone interact. energy: -0.000
local terms energy: -22.898001
where:
bonds (distance) C4'-P energy: -2.950
bonds (distance) P-C4' energy: -5.507
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -50.043715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.043715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.043715 (E_RNA)
where:
Base-Base interactions energy: -21.421
where: short stacking energy: -15.425
Base-Backbone interact. energy: -0.495
local terms energy: -28.127447
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -56.032448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.032448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.032448 (E_RNA)
where:
Base-Base interactions energy: -25.241
where: short stacking energy: -25.241
Base-Backbone interact. energy: -0.000
local terms energy: -30.791251
where:
bonds (distance) C4'-P energy: -4.324
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -57.545933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.545933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.545933 (E_RNA)
where:
Base-Base interactions energy: -24.496
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.000
local terms energy: -33.050371
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -53.692625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.692625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.692625 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.001
local terms energy: -27.719253
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -41.984712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.984712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.984712 (E_RNA)
where:
Base-Base interactions energy: -18.342
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.001
local terms energy: -23.642653
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.630
flat angles P-C4'-P energy: -1.524
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -39.880470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.880470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.880470 (E_RNA)
where:
Base-Base interactions energy: -16.235
where: short stacking energy: -16.235
Base-Backbone interact. energy: 0.182
local terms energy: -23.827114
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -6.761
flat angles C4'-P-C4' energy: -4.690
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -34.747317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.747317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.747317 (E_RNA)
where:
Base-Base interactions energy: -11.168
where: short stacking energy: -11.168
Base-Backbone interact. energy: -0.026
local terms energy: -23.553377
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -2.678
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -39.403160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.403160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.403160 (E_RNA)
where:
Base-Base interactions energy: -16.031
where: short stacking energy: -16.031
Base-Backbone interact. energy: -0.090
local terms energy: -23.281762
where:
bonds (distance) C4'-P energy: -3.293
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -41.044386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.044386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.044386 (E_RNA)
where:
Base-Base interactions energy: -15.247
where: short stacking energy: -15.247
Base-Backbone interact. energy: -0.000
local terms energy: -25.796856
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -2.919
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -4.531
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: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -44.359242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.359242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.359242 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -17.537
Base-Backbone interact. energy: -0.000
local terms energy: -26.788938
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.311
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -59.550307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.550307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.550307 (E_RNA)
where:
Base-Base interactions energy: -23.419
where: short stacking energy: -23.419
Base-Backbone interact. energy: -0.000
local terms energy: -36.131253
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.407
flat angles P-C4'-P energy: -5.341
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: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -44.463498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.463498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.463498 (E_RNA)
where:
Base-Base interactions energy: -17.406
where: short stacking energy: -17.406
Base-Backbone interact. energy: -0.003
local terms energy: -27.054384
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -41.864213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.864213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.864213 (E_RNA)
where:
Base-Base interactions energy: -15.223
where: short stacking energy: -15.223
Base-Backbone interact. energy: -0.056
local terms energy: -26.585639
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -3.352
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: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -42.097918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.097918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.097918 (E_RNA)
where:
Base-Base interactions energy: -14.793
where: short stacking energy: -14.793
Base-Backbone interact. energy: -0.000
local terms energy: -27.305098
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.701
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -4.290
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -46.331074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.331074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.331074 (E_RNA)
where:
Base-Base interactions energy: -20.255
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.000
local terms energy: -26.076359
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -38.139326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.139326 (E_RNA)
where:
Base-Base interactions energy: -17.502
where: short stacking energy: -17.297
Base-Backbone interact. energy: -0.075
local terms energy: -20.562328
where:
bonds (distance) C4'-P energy: -4.552
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.204
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -37.353719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.353719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.353719 (E_RNA)
where:
Base-Base interactions energy: -13.982
where: short stacking energy: -13.982
Base-Backbone interact. energy: -0.000
local terms energy: -23.371455
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -3.482
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: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -42.020663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.020663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.020663 (E_RNA)
where:
Base-Base interactions energy: -19.243
where: short stacking energy: -19.243
Base-Backbone interact. energy: 0.807
local terms energy: -23.583937
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -5.839
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -30.874449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.874449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.874449 (E_RNA)
where:
Base-Base interactions energy: -8.308
where: short stacking energy: -7.919
Base-Backbone interact. energy: -0.006
local terms energy: -22.560262
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -0.782
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -34.015166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.015166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.015166 (E_RNA)
where:
Base-Base interactions energy: -10.490
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.053
local terms energy: -23.471725
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -0.790
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: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -47.334104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.334104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.334104 (E_RNA)
where:
Base-Base interactions energy: -19.911
where: short stacking energy: -19.911
Base-Backbone interact. energy: -0.024
local terms energy: -27.399091
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.226
flat angles C4'-P-C4' energy: -4.729
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -52.564576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.564576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.564576 (E_RNA)
where:
Base-Base interactions energy: -23.005
where: short stacking energy: -21.478
Base-Backbone interact. energy: -0.000
local terms energy: -29.559819
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -43.826972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.826972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.826972 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -18.010
Base-Backbone interact. energy: -0.068
local terms energy: -25.748541
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -48.646860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.646860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.646860 (E_RNA)
where:
Base-Base interactions energy: -20.330
where: short stacking energy: -20.330
Base-Backbone interact. energy: -0.000
local terms energy: -28.316897
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.076
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -40.899733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.899733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.899733 (E_RNA)
where:
Base-Base interactions energy: -16.498
where: short stacking energy: -16.498
Base-Backbone interact. energy: -0.042
local terms energy: -24.360082
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -4.524
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: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -45.311250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.311250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.311250 (E_RNA)
where:
Base-Base interactions energy: -17.950
where: short stacking energy: -17.950
Base-Backbone interact. energy: -0.001
local terms energy: -27.360501
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -4.443
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: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -38.433731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.433731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.433731 (E_RNA)
where:
Base-Base interactions energy: -13.364
where: short stacking energy: -13.345
Base-Backbone interact. energy: 0.487
local terms energy: -25.556384
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.910
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -33.439295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.439295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.439295 (E_RNA)
where:
Base-Base interactions energy: -15.444
where: short stacking energy: -14.951
Base-Backbone interact. energy: -0.016
local terms energy: -17.978940
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: 1.274
tors. eta vs tors. theta energy: -3.665
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -38.267741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.267741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.267741 (E_RNA)
where:
Base-Base interactions energy: -12.484
where: short stacking energy: -12.484
Base-Backbone interact. energy: -0.000
local terms energy: -25.783530
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -38.942975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.942975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.942975 (E_RNA)
where:
Base-Base interactions energy: -13.558
where: short stacking energy: -13.558
Base-Backbone interact. energy: -0.018
local terms energy: -25.367134
where:
bonds (distance) C4'-P energy: -4.093
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -46.257999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.257999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.257999 (E_RNA)
where:
Base-Base interactions energy: -19.949
where: short stacking energy: -19.406
Base-Backbone interact. energy: -0.240
local terms energy: -26.069045
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.811
flat angles P-C4'-P energy: -4.497
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: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -51.038929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.038929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.038929 (E_RNA)
where:
Base-Base interactions energy: -24.745
where: short stacking energy: -23.945
Base-Backbone interact. energy: -0.000
local terms energy: -26.293724
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -3.611
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -42.191691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.191691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.191691 (E_RNA)
where:
Base-Base interactions energy: -16.947
where: short stacking energy: -15.317
Base-Backbone interact. energy: -0.000
local terms energy: -25.244329
where:
bonds (distance) C4'-P energy: -3.538
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -40.175409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.175409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.175409 (E_RNA)
where:
Base-Base interactions energy: -16.528
where: short stacking energy: -16.528
Base-Backbone interact. energy: -0.001
local terms energy: -23.646881
where:
bonds (distance) C4'-P energy: -2.635
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -39.136134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.136134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.136134 (E_RNA)
where:
Base-Base interactions energy: -11.883
where: short stacking energy: -7.518
Base-Backbone interact. energy: -0.082
local terms energy: -27.171107
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -5.142
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -41.444520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.444520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.444520 (E_RNA)
where:
Base-Base interactions energy: -12.444
where: short stacking energy: -12.444
Base-Backbone interact. energy: -0.001
local terms energy: -28.999322
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -37.343845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.343845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.343845 (E_RNA)
where:
Base-Base interactions energy: -18.841
where: short stacking energy: -16.612
Base-Backbone interact. energy: -0.025
local terms energy: -18.477962
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -2.377
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: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -45.620806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.620806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.620806 (E_RNA)
where:
Base-Base interactions energy: -17.571
where: short stacking energy: -16.791
Base-Backbone interact. energy: -0.004
local terms energy: -28.046238
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -1.984
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -30.905418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.905418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.905418 (E_RNA)
where:
Base-Base interactions energy: -9.077
where: short stacking energy: -9.077
Base-Backbone interact. energy: -0.003
local terms energy: -21.824677
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -33.917158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.917158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.917158 (E_RNA)
where:
Base-Base interactions energy: -13.932
where: short stacking energy: -13.932
Base-Backbone interact. energy: -0.090
local terms energy: -19.894571
where:
bonds (distance) C4'-P energy: -2.051
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -2.831
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -2.572
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: 143
Temperature: 0.900000
Total energy: -50.043692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.043692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.043692 (E_RNA)
where:
Base-Base interactions energy: -20.517
where: short stacking energy: -20.517
Base-Backbone interact. energy: -0.001
local terms energy: -29.526174
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -5.363
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: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -56.820459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.820459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.820459 (E_RNA)
where:
Base-Base interactions energy: -25.189
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.000
local terms energy: -31.631695
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.559
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -5.416
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: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -45.646343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.646343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.646343 (E_RNA)
where:
Base-Base interactions energy: -20.659
where: short stacking energy: -20.659
Base-Backbone interact. energy: -0.091
local terms energy: -24.896019
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.562
flat angles P-C4'-P energy: -2.739
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -52.841657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.841657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.841657 (E_RNA)
where:
Base-Base interactions energy: -23.989
where: short stacking energy: -23.989
Base-Backbone interact. energy: -0.001
local terms energy: -28.851600
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -5.779
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: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -38.621947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.621947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.621947 (E_RNA)
where:
Base-Base interactions energy: -14.586
where: short stacking energy: -14.586
Base-Backbone interact. energy: -0.000
local terms energy: -24.035554
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -2.634
flat angles P-C4'-P energy: -4.879
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: 6, replica: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -39.302894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.302894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.302894 (E_RNA)
where:
Base-Base interactions energy: -14.767
where: short stacking energy: -14.767
Base-Backbone interact. energy: -0.111
local terms energy: -24.424626
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: 1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -39.323402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.323402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.323402 (E_RNA)
where:
Base-Base interactions energy: -15.694
where: short stacking energy: -15.694
Base-Backbone interact. energy: -0.001
local terms energy: -23.628933
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: 0.206
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: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -34.952446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.952446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.952446 (E_RNA)
where:
Base-Base interactions energy: -14.820
where: short stacking energy: -14.820
Base-Backbone interact. energy: -0.008
local terms energy: -20.124658
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -1.402
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -35.579688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.579688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.579688 (E_RNA)
where:
Base-Base interactions energy: -14.853
where: short stacking energy: -14.853
Base-Backbone interact. energy: -0.098
local terms energy: -20.629142
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -32.080231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.080231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.080231 (E_RNA)
where:
Base-Base interactions energy: -10.875
where: short stacking energy: -10.875
Base-Backbone interact. energy: -0.005
local terms energy: -21.199372
where:
bonds (distance) C4'-P energy: -3.558
bonds (distance) P-C4' energy: -4.468
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -1.477
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: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -48.665410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.665410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.665410 (E_RNA)
where:
Base-Base interactions energy: -20.831
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.062
local terms energy: -27.772400
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -6.133
flat angles P-C4'-P energy: -4.259
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: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -46.925533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.925533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.925533 (E_RNA)
where:
Base-Base interactions energy: -19.370
where: short stacking energy: -19.370
Base-Backbone interact. energy: -0.000
local terms energy: -27.554909
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -4.982
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -42.839510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.839510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.839510 (E_RNA)
where:
Base-Base interactions energy: -17.301
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.134
local terms energy: -25.404670
where:
bonds (distance) C4'-P energy: -4.904
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -47.904089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.904089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.904089 (E_RNA)
where:
Base-Base interactions energy: -23.360
where: short stacking energy: -19.704
Base-Backbone interact. energy: -0.001
local terms energy: -24.543542
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -0.936
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -39.020205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.020205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.020205 (E_RNA)
where:
Base-Base interactions energy: -15.809
where: short stacking energy: -15.809
Base-Backbone interact. energy: 0.115
local terms energy: -23.326472
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -1.470
tors. eta vs tors. theta energy: -2.313
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: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -46.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.980276 (E_RNA)
where:
Base-Base interactions energy: -17.941
where: short stacking energy: -17.941
Base-Backbone interact. energy: -0.003
local terms energy: -29.036039
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -5.679
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -35.242811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.242811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.242811 (E_RNA)
where:
Base-Base interactions energy: -12.942
where: short stacking energy: -12.942
Base-Backbone interact. energy: -0.185
local terms energy: -22.116086
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -4.691
flat angles P-C4'-P energy: -5.735
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: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -33.490799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.490799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.490799 (E_RNA)
where:
Base-Base interactions energy: -9.324
where: short stacking energy: -6.956
Base-Backbone interact. energy: -0.030
local terms energy: -24.136558
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -0.143
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -35.943746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.943746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.943746 (E_RNA)
where:
Base-Base interactions energy: -12.131
where: short stacking energy: -12.131
Base-Backbone interact. energy: -0.003
local terms energy: -23.809658
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -2.136
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -36.248804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.248804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.248804 (E_RNA)
where:
Base-Base interactions energy: -11.704
where: short stacking energy: -9.838
Base-Backbone interact. energy: -0.198
local terms energy: -24.346340
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -4.410
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -60.003636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.003636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.003636 (E_RNA)
where:
Base-Base interactions energy: -29.459
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.001
local terms energy: -30.543906
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -5.392
flat angles C4'-P-C4' energy: -7.160
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -47.504518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.504518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.504518 (E_RNA)
where:
Base-Base interactions energy: -20.978
where: short stacking energy: -20.978
Base-Backbone interact. energy: -0.039
local terms energy: -26.486898
where:
bonds (distance) C4'-P energy: -4.556
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -44.173946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.173946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.173946 (E_RNA)
where:
Base-Base interactions energy: -19.532
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.000
local terms energy: -24.641934
where:
bonds (distance) C4'-P energy: -4.030
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -45.503471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.503471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.503471 (E_RNA)
where:
Base-Base interactions energy: -19.857
where: short stacking energy: -19.857
Base-Backbone interact. energy: -0.093
local terms energy: -25.552859
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.790
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -4.417
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: 145
Temperature: 1.100000
Total energy: -50.109470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.109470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.109470 (E_RNA)
where:
Base-Base interactions energy: -19.034
where: short stacking energy: -19.034
Base-Backbone interact. energy: -0.000
local terms energy: -31.075738
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -41.873012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.873012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.873012 (E_RNA)
where:
Base-Base interactions energy: -17.672
where: short stacking energy: -17.672
Base-Backbone interact. energy: -0.016
local terms energy: -24.185862
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: 0.319
tors. eta vs tors. theta energy: -5.851
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: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -40.967763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.967763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.967763 (E_RNA)
where:
Base-Base interactions energy: -18.320
where: short stacking energy: -16.011
Base-Backbone interact. energy: -0.000
local terms energy: -22.647870
where:
bonds (distance) C4'-P energy: -3.712
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -0.362
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: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -39.516284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.516284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.516284 (E_RNA)
where:
Base-Base interactions energy: -14.400
where: short stacking energy: -14.400
Base-Backbone interact. energy: -0.373
local terms energy: -24.743526
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -35.638141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.638141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.638141 (E_RNA)
where:
Base-Base interactions energy: -10.022
where: short stacking energy: -10.022
Base-Backbone interact. energy: -0.096
local terms energy: -25.520480
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -31.520435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.520435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.520435 (E_RNA)
where:
Base-Base interactions energy: -9.933
where: short stacking energy: -8.980
Base-Backbone interact. energy: -0.011
local terms energy: -21.576394
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -50.987388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.987388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.987388 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -21.382
Base-Backbone interact. energy: -0.000
local terms energy: -29.605095
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.860
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -48.493447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.493447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.493447 (E_RNA)
where:
Base-Base interactions energy: -22.744
where: short stacking energy: -11.790
Base-Backbone interact. energy: -0.452
local terms energy: -25.297790
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -4.889
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -52.852197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.852197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.852197 (E_RNA)
where:
Base-Base interactions energy: -21.797
where: short stacking energy: -20.876
Base-Backbone interact. energy: -0.000
local terms energy: -31.055405
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -44.512704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.512704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.512704 (E_RNA)
where:
Base-Base interactions energy: -20.108
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.001
local terms energy: -24.404068
where:
bonds (distance) C4'-P energy: -4.296
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -39.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.901663 (E_RNA)
where:
Base-Base interactions energy: -15.127
where: short stacking energy: -15.127
Base-Backbone interact. energy: -0.089
local terms energy: -24.685865
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -2.144
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: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -35.667189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.667189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.667189 (E_RNA)
where:
Base-Base interactions energy: -8.849
where: short stacking energy: -7.683
Base-Backbone interact. energy: -0.038
local terms energy: -26.780092
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -5.981
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -42.400442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.400442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.400442 (E_RNA)
where:
Base-Base interactions energy: -16.376
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.001
local terms energy: -26.023608
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -4.331
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -5.441
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: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -35.582537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.582537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.582537 (E_RNA)
where:
Base-Base interactions energy: -8.639
where: short stacking energy: -8.639
Base-Backbone interact. energy: -0.001
local terms energy: -26.942761
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -1.861
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: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -31.870616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.870616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.870616 (E_RNA)
where:
Base-Base interactions energy: -7.563
where: short stacking energy: -7.386
Base-Backbone interact. energy: -0.228
local terms energy: -24.079469
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -4.804
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -39.313620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.313620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.313620 (E_RNA)
where:
Base-Base interactions energy: -15.023
where: short stacking energy: -15.023
Base-Backbone interact. energy: -0.001
local terms energy: -24.289956
where:
bonds (distance) C4'-P energy: -3.690
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -6.108
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: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -55.731629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.731629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.731629 (E_RNA)
where:
Base-Base interactions energy: -26.653
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.001
local terms energy: -29.077713
where:
bonds (distance) C4'-P energy: -3.070
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -6.427
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -47.817785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.817785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.817785 (E_RNA)
where:
Base-Base interactions energy: -19.225
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.021
local terms energy: -28.572145
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.758
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -55.470709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.470709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.470709 (E_RNA)
where:
Base-Base interactions energy: -24.398
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.000
local terms energy: -31.073069
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -46.579469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.579469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.579469 (E_RNA)
where:
Base-Base interactions energy: -20.177
where: short stacking energy: -20.177
Base-Backbone interact. energy: -0.000
local terms energy: -26.402097
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -6.474
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -5.898
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: 147
Temperature: 1.100000
Total energy: -36.197303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.197303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.197303 (E_RNA)
where:
Base-Base interactions energy: -12.464
where: short stacking energy: -7.374
Base-Backbone interact. energy: -0.092
local terms energy: -23.640803
where:
bonds (distance) C4'-P energy: -5.309
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.668
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -51.084733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.084733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.084733 (E_RNA)
where:
Base-Base interactions energy: -19.255
where: short stacking energy: -19.255
Base-Backbone interact. energy: -0.000
local terms energy: -31.829898
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -40.094097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.094097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.094097 (E_RNA)
where:
Base-Base interactions energy: -19.212
where: short stacking energy: -19.212
Base-Backbone interact. energy: -0.000
local terms energy: -20.881392
where:
bonds (distance) C4'-P energy: -3.393
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -1.485
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: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -43.681668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.681668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.681668 (E_RNA)
where:
Base-Base interactions energy: -20.052
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.000
local terms energy: -23.629404
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -3.311
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -31.061338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.061338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.061338 (E_RNA)
where:
Base-Base interactions energy: -10.207
where: short stacking energy: -10.207
Base-Backbone interact. energy: -0.332
local terms energy: -20.522147
where:
bonds (distance) C4'-P energy: -5.020
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -37.540543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.540543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.540543 (E_RNA)
where:
Base-Base interactions energy: -16.732
where: short stacking energy: -16.732
Base-Backbone interact. energy: -0.178
local terms energy: -20.631179
where:
bonds (distance) C4'-P energy: -4.122
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -53.457967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.457967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.457967 (E_RNA)
where:
Base-Base interactions energy: -22.088
where: short stacking energy: -22.088
Base-Backbone interact. energy: -0.000
local terms energy: -31.370144
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -6.908
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -51.621820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.621820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.621820 (E_RNA)
where:
Base-Base interactions energy: -20.470
where: short stacking energy: -20.470
Base-Backbone interact. energy: -0.000
local terms energy: -31.151868
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -6.557
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -52.773661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.773661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.773661 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.009
local terms energy: -32.143673
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.073
flat angles P-C4'-P energy: -4.432
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: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -45.220952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.220952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.220952 (E_RNA)
where:
Base-Base interactions energy: -12.899
where: short stacking energy: -12.899
Base-Backbone interact. energy: -0.000
local terms energy: -32.322257
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -44.761696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.761696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.761696 (E_RNA)
where:
Base-Base interactions energy: -17.696
where: short stacking energy: -17.696
Base-Backbone interact. energy: -0.000
local terms energy: -27.065440
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.002
flat angles P-C4'-P energy: -1.886
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -35.613608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.613608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.613608 (E_RNA)
where:
Base-Base interactions energy: -13.370
where: short stacking energy: -12.360
Base-Backbone interact. energy: -0.073
local terms energy: -22.170481
where:
bonds (distance) C4'-P energy: -4.958
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -45.524301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.524301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.524301 (E_RNA)
where:
Base-Base interactions energy: -19.340
where: short stacking energy: -19.340
Base-Backbone interact. energy: -0.000
local terms energy: -26.184288
where:
bonds (distance) C4'-P energy: -3.497
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -4.718
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: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -40.430601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.430601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.430601 (E_RNA)
where:
Base-Base interactions energy: -17.005
where: short stacking energy: -10.138
Base-Backbone interact. energy: -0.116
local terms energy: -23.309284
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -5.978
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -1.769
tors. eta vs tors. theta energy: -2.361
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: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -40.300856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.300856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.300856 (E_RNA)
where:
Base-Base interactions energy: -15.553
where: short stacking energy: -13.983
Base-Backbone interact. energy: -0.000
local terms energy: -24.747982
where:
bonds (distance) C4'-P energy: -4.652
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -4.320
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: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -32.669201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.669201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.669201 (E_RNA)
where:
Base-Base interactions energy: -13.092
where: short stacking energy: -13.092
Base-Backbone interact. energy: -0.090
local terms energy: -19.486618
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -46.928888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.928888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.928888 (E_RNA)
where:
Base-Base interactions energy: -19.871
where: short stacking energy: -19.871
Base-Backbone interact. energy: 0.594
local terms energy: -27.651997
where:
bonds (distance) C4'-P energy: -5.095
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -50.329849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.329849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.329849 (E_RNA)
where:
Base-Base interactions energy: -23.087
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.000
local terms energy: -27.242361
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -6.534
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: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -48.837657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.837657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.837657 (E_RNA)
where:
Base-Base interactions energy: -22.706
where: short stacking energy: -22.706
Base-Backbone interact. energy: -0.028
local terms energy: -26.103220
where:
bonds (distance) C4'-P energy: -5.103
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: -4.639
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: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -38.641524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.641524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.641524 (E_RNA)
where:
Base-Base interactions energy: -16.871
where: short stacking energy: -16.871
Base-Backbone interact. energy: -0.043
local terms energy: -21.727684
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.173
flat angles P-C4'-P energy: -3.153
tors. eta vs tors. theta energy: -0.036
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: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -42.716656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.716656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.716656 (E_RNA)
where:
Base-Base interactions energy: -17.943
where: short stacking energy: -17.943
Base-Backbone interact. energy: -0.000
local terms energy: -24.774129
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -1.177
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -43.424228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.424228 (E_RNA)
where:
Base-Base interactions energy: -19.312
where: short stacking energy: -19.312
Base-Backbone interact. energy: -0.004
local terms energy: -24.107739
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -5.401
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -34.745618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.745618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.745618 (E_RNA)
where:
Base-Base interactions energy: -11.918
where: short stacking energy: -11.918
Base-Backbone interact. energy: -0.001
local terms energy: -22.826560
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -4.108
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -35.160772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.160772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.160772 (E_RNA)
where:
Base-Base interactions energy: -13.474
where: short stacking energy: -13.474
Base-Backbone interact. energy: -0.001
local terms energy: -21.686211
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -2.043
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -30.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.507603 (E_RNA)
where:
Base-Base interactions energy: -5.841
where: short stacking energy: -5.841
Base-Backbone interact. energy: -0.040
local terms energy: -24.626996
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -3.590
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: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -33.054857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.054857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.054857 (E_RNA)
where:
Base-Base interactions energy: -11.491
where: short stacking energy: -11.491
Base-Backbone interact. energy: -0.012
local terms energy: -21.552088
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -3.755
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -2.381
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: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -47.825216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.825216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.825216 (E_RNA)
where:
Base-Base interactions energy: -19.517
where: short stacking energy: -16.672
Base-Backbone interact. energy: -0.039
local terms energy: -28.269506
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -49.743900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.743900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.743900 (E_RNA)
where:
Base-Base interactions energy: -19.860
where: short stacking energy: -19.369
Base-Backbone interact. energy: -0.000
local terms energy: -29.883848
where:
bonds (distance) C4'-P energy: -5.102
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -46.466857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.466857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.466857 (E_RNA)
where:
Base-Base interactions energy: -19.335
where: short stacking energy: -19.005
Base-Backbone interact. energy: -0.010
local terms energy: -27.122219
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.191
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -42.557623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.557623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.557623 (E_RNA)
where:
Base-Base interactions energy: -19.994
where: short stacking energy: -19.994
Base-Backbone interact. energy: -0.052
local terms energy: -22.511035
where:
bonds (distance) C4'-P energy: -4.457
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -36.409307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.409307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.409307 (E_RNA)
where:
Base-Base interactions energy: -11.797
where: short stacking energy: -11.797
Base-Backbone interact. energy: -0.009
local terms energy: -24.603474
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -40.487180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.487180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.487180 (E_RNA)
where:
Base-Base interactions energy: -14.180
where: short stacking energy: -14.180
Base-Backbone interact. energy: -0.000
local terms energy: -26.307170
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -39.489569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.489569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.489569 (E_RNA)
where:
Base-Base interactions energy: -15.114
where: short stacking energy: -15.114
Base-Backbone interact. energy: -0.000
local terms energy: -24.375429
where:
bonds (distance) C4'-P energy: -4.661
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -36.144589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.144589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.144589 (E_RNA)
where:
Base-Base interactions energy: -19.009
where: short stacking energy: -19.009
Base-Backbone interact. energy: -0.001
local terms energy: -17.134439
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -1.740
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: -3.793
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: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -41.189917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.189917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.189917 (E_RNA)
where:
Base-Base interactions energy: -17.039
where: short stacking energy: -17.039
Base-Backbone interact. energy: -0.000
local terms energy: -24.150739
where:
bonds (distance) C4'-P energy: -4.544
bonds (distance) P-C4' energy: -4.368
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -34.955273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.955273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.955273 (E_RNA)
where:
Base-Base interactions energy: -11.230
where: short stacking energy: -11.230
Base-Backbone interact. energy: -0.021
local terms energy: -23.704917
where:
bonds (distance) C4'-P energy: -5.786
bonds (distance) P-C4' energy: -6.222
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -51.050224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.050224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.050224 (E_RNA)
where:
Base-Base interactions energy: -26.265
where: short stacking energy: -26.265
Base-Backbone interact. energy: -0.000
local terms energy: -24.784494
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -51.045381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.045381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.045381 (E_RNA)
where:
Base-Base interactions energy: -23.341
where: short stacking energy: -18.799
Base-Backbone interact. energy: -0.000
local terms energy: -27.703788
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -6.824
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -48.370948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.370948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.370948 (E_RNA)
where:
Base-Base interactions energy: -23.548
where: short stacking energy: -23.548
Base-Backbone interact. energy: -0.000
local terms energy: -24.823084
where:
bonds (distance) C4'-P energy: -2.954
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -45.174955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.174955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.174955 (E_RNA)
where:
Base-Base interactions energy: -20.090
where: short stacking energy: -20.090
Base-Backbone interact. energy: -0.000
local terms energy: -25.084765
where:
bonds (distance) C4'-P energy: -3.529
bonds (distance) P-C4' energy: -4.657
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -42.633355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.633355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.633355 (E_RNA)
where:
Base-Base interactions energy: -17.845
where: short stacking energy: -17.845
Base-Backbone interact. energy: -0.017
local terms energy: -24.771199
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -5.206
flat angles C4'-P-C4' energy: -4.923
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -40.510571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510571 (E_RNA)
where:
Base-Base interactions energy: -14.181
where: short stacking energy: -14.181
Base-Backbone interact. energy: -0.000
local terms energy: -26.329785
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -32.942955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.942955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.942955 (E_RNA)
where:
Base-Base interactions energy: -9.132
where: short stacking energy: -8.233
Base-Backbone interact. energy: -0.122
local terms energy: -23.688669
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.414
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: 0.752
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: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -32.499452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.499452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.499452 (E_RNA)
where:
Base-Base interactions energy: -11.662
where: short stacking energy: -11.478
Base-Backbone interact. energy: -0.000
local terms energy: -20.837653
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -5.994
flat angles C4'-P-C4' energy: -4.665
flat angles P-C4'-P energy: -2.053
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -41.161962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.161962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.161962 (E_RNA)
where:
Base-Base interactions energy: -17.409
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.000
local terms energy: -23.752736
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -2.211
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -4.399
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: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -32.514804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.514804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.514804 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -6.141
Base-Backbone interact. energy: -0.025
local terms energy: -25.172467
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -52.982162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.982162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.982162 (E_RNA)
where:
Base-Base interactions energy: -20.855
where: short stacking energy: -20.855
Base-Backbone interact. energy: -0.000
local terms energy: -32.127577
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -4.842
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: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -50.850074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.850074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.850074 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.016
local terms energy: -31.357077
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -48.485151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.485151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.485151 (E_RNA)
where:
Base-Base interactions energy: -20.236
where: short stacking energy: -15.926
Base-Backbone interact. energy: -0.000
local terms energy: -28.248650
where:
bonds (distance) C4'-P energy: -5.061
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -6.034
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: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -48.461096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.461096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.461096 (E_RNA)
where:
Base-Base interactions energy: -21.454
where: short stacking energy: -21.454
Base-Backbone interact. energy: -0.014
local terms energy: -26.993170
where:
bonds (distance) C4'-P energy: -1.438
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -40.980346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.980346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.980346 (E_RNA)
where:
Base-Base interactions energy: -15.962
where: short stacking energy: -15.962
Base-Backbone interact. energy: -0.025
local terms energy: -24.992679
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -4.728
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: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -41.257185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.257185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.257185 (E_RNA)
where:
Base-Base interactions energy: -16.037
where: short stacking energy: -14.285
Base-Backbone interact. energy: -0.009
local terms energy: -25.210295
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -3.654
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -36.229526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.229526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.229526 (E_RNA)
where:
Base-Base interactions energy: -12.857
where: short stacking energy: -12.033
Base-Backbone interact. energy: -0.000
local terms energy: -23.372908
where:
bonds (distance) C4'-P energy: -4.361
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -2.378
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: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -33.516846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.516846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.516846 (E_RNA)
where:
Base-Base interactions energy: -12.186
where: short stacking energy: -7.971
Base-Backbone interact. energy: -0.026
local terms energy: -21.305350
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -3.353
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -40.880307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.880307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.880307 (E_RNA)
where:
Base-Base interactions energy: -13.677
where: short stacking energy: -13.677
Base-Backbone interact. energy: -0.001
local terms energy: -27.202912
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -32.721626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.721626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.721626 (E_RNA)
where:
Base-Base interactions energy: -13.594
where: short stacking energy: -12.510
Base-Backbone interact. energy: -0.059
local terms energy: -19.068883
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -2.397
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: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -46.969381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.969381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.969381 (E_RNA)
where:
Base-Base interactions energy: -18.575
where: short stacking energy: -17.683
Base-Backbone interact. energy: -0.003
local terms energy: -28.391355
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.922
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -47.066302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.066302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.066302 (E_RNA)
where:
Base-Base interactions energy: -18.977
where: short stacking energy: -17.430
Base-Backbone interact. energy: -0.000
local terms energy: -28.089684
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -48.500223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.500223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.500223 (E_RNA)
where:
Base-Base interactions energy: -21.679
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.000
local terms energy: -26.821686
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -0.419
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -41.210556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.210556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.210556 (E_RNA)
where:
Base-Base interactions energy: -14.583
where: short stacking energy: -14.583
Base-Backbone interact. energy: -0.001
local terms energy: -26.626345
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -2.384
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: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -38.305355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.305355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.305355 (E_RNA)
where:
Base-Base interactions energy: -11.602
where: short stacking energy: -11.602
Base-Backbone interact. energy: -0.099
local terms energy: -26.605270
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -1.039
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -38.498143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.498143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.498143 (E_RNA)
where:
Base-Base interactions energy: -17.628
where: short stacking energy: -16.258
Base-Backbone interact. energy: -0.000
local terms energy: -20.870340
where:
bonds (distance) C4'-P energy: -4.155
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -43.228042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.228042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.228042 (E_RNA)
where:
Base-Base interactions energy: -18.809
where: short stacking energy: -18.098
Base-Backbone interact. energy: -0.013
local terms energy: -24.406197
where:
bonds (distance) C4'-P energy: -4.556
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -4.240
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: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -42.360779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.360779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.360779 (E_RNA)
where:
Base-Base interactions energy: -16.047
where: short stacking energy: -16.047
Base-Backbone interact. energy: -0.569
local terms energy: -25.743927
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -46.757409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.757409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.757409 (E_RNA)
where:
Base-Base interactions energy: -17.507
where: short stacking energy: -16.145
Base-Backbone interact. energy: -0.000
local terms energy: -29.250399
where:
bonds (distance) C4'-P energy: -5.587
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -36.122633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.122633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.122633 (E_RNA)
where:
Base-Base interactions energy: -14.511
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.075
local terms energy: -21.536143
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -6.767
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -45.942466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.942466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.942466 (E_RNA)
where:
Base-Base interactions energy: -18.953
where: short stacking energy: -18.953
Base-Backbone interact. energy: -0.000
local terms energy: -26.989310
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -5.948
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -49.104928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.104928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.104928 (E_RNA)
where:
Base-Base interactions energy: -17.827
where: short stacking energy: -17.827
Base-Backbone interact. energy: -0.000
local terms energy: -31.277965
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -2.092
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -48.661934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.661934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.661934 (E_RNA)
where:
Base-Base interactions energy: -17.764
where: short stacking energy: -17.764
Base-Backbone interact. energy: -0.000
local terms energy: -30.897603
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.702
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -44.885353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.885353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.885353 (E_RNA)
where:
Base-Base interactions energy: -21.674
where: short stacking energy: -21.674
Base-Backbone interact. energy: -0.000
local terms energy: -23.211183
where:
bonds (distance) C4'-P energy: -4.970
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -6.436
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -42.604505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.604505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.604505 (E_RNA)
where:
Base-Base interactions energy: -16.508
where: short stacking energy: -16.137
Base-Backbone interact. energy: -0.014
local terms energy: -26.082444
where:
bonds (distance) C4'-P energy: -3.757
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -38.232446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.232446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.232446 (E_RNA)
where:
Base-Base interactions energy: -16.164
where: short stacking energy: -14.134
Base-Backbone interact. energy: -0.000
local terms energy: -22.067870
where:
bonds (distance) C4'-P energy: -4.920
bonds (distance) P-C4' energy: -4.019
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -43.193870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.193870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.193870 (E_RNA)
where:
Base-Base interactions energy: -15.348
where: short stacking energy: -15.348
Base-Backbone interact. energy: -0.000
local terms energy: -27.845184
where:
bonds (distance) C4'-P energy: -4.953
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -4.625
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: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -41.865468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.865468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.865468 (E_RNA)
where:
Base-Base interactions energy: -16.513
where: short stacking energy: -16.513
Base-Backbone interact. energy: -0.081
local terms energy: -25.272132
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -32.456112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.456112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.456112 (E_RNA)
where:
Base-Base interactions energy: -6.792
where: short stacking energy: -6.792
Base-Backbone interact. energy: -0.173
local terms energy: -25.490352
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -43.870599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.870599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.870599 (E_RNA)
where:
Base-Base interactions energy: -20.825
where: short stacking energy: -18.404
Base-Backbone interact. energy: -0.012
local terms energy: -23.033604
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -4.051
flat angles C4'-P-C4' energy: -4.676
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -4.387
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -52.514895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.514895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.514895 (E_RNA)
where:
Base-Base interactions energy: -23.980
where: short stacking energy: -23.091
Base-Backbone interact. energy: -0.017
local terms energy: -28.517110
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.199
flat angles C4'-P-C4' energy: -6.035
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -5.111
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: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -46.954459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.954459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.954459 (E_RNA)
where:
Base-Base interactions energy: -19.723
where: short stacking energy: -17.151
Base-Backbone interact. energy: -0.028
local terms energy: -27.202911
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -5.947
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -3.222
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: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -43.993761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.993761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.993761 (E_RNA)
where:
Base-Base interactions energy: -17.140
where: short stacking energy: -17.140
Base-Backbone interact. energy: -0.002
local terms energy: -26.852329
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -5.656
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -47.132299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.132299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.132299 (E_RNA)
where:
Base-Base interactions energy: -22.873
where: short stacking energy: -22.177
Base-Backbone interact. energy: -0.111
local terms energy: -24.147684
where:
bonds (distance) C4'-P energy: -6.216
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -0.324
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -48.612493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.612493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.612493 (E_RNA)
where:
Base-Base interactions energy: -23.317
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.000
local terms energy: -25.295328
where:
bonds (distance) C4'-P energy: -4.192
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -40.640430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.640430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.640430 (E_RNA)
where:
Base-Base interactions energy: -15.166
where: short stacking energy: -15.166
Base-Backbone interact. energy: -0.005
local terms energy: -25.469659
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -35.750140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.750140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.750140 (E_RNA)
where:
Base-Base interactions energy: -14.123
where: short stacking energy: -14.123
Base-Backbone interact. energy: -0.004
local terms energy: -21.622513
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -2.969
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -40.712911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.712911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.712911 (E_RNA)
where:
Base-Base interactions energy: -14.943
where: short stacking energy: -14.943
Base-Backbone interact. energy: -0.328
local terms energy: -25.442300
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -3.581
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -37.485383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.485383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.485383 (E_RNA)
where:
Base-Base interactions energy: -11.371
where: short stacking energy: -11.371
Base-Backbone interact. energy: -0.030
local terms energy: -26.084626
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -36.331536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.331536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.331536 (E_RNA)
where:
Base-Base interactions energy: -15.695
where: short stacking energy: -13.442
Base-Backbone interact. energy: -0.579
local terms energy: -20.057468
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -3.160
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -55.669786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.669786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.669786 (E_RNA)
where:
Base-Base interactions energy: -26.393
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.001
local terms energy: -29.276232
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -43.644786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.644786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.644786 (E_RNA)
where:
Base-Base interactions energy: -16.093
where: short stacking energy: -13.394
Base-Backbone interact. energy: -0.000
local terms energy: -27.552128
where:
bonds (distance) C4'-P energy: -4.597
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -3.106
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: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -53.115601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.115601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.115601 (E_RNA)
where:
Base-Base interactions energy: -24.330
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.014
local terms energy: -28.772028
where:
bonds (distance) C4'-P energy: -3.554
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -5.780
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: 156
Temperature: 1.050000
Total energy: -42.970354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.970354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.970354 (E_RNA)
where:
Base-Base interactions energy: -13.301
where: short stacking energy: -13.301
Base-Backbone interact. energy: -0.003
local terms energy: -29.665707
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.218
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -5.653
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -41.059992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.059992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.059992 (E_RNA)
where:
Base-Base interactions energy: -15.456
where: short stacking energy: -15.456
Base-Backbone interact. energy: -0.000
local terms energy: -25.604202
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: -3.531
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: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -48.481635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.481635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.481635 (E_RNA)
where:
Base-Base interactions energy: -18.759
where: short stacking energy: -18.759
Base-Backbone interact. energy: -0.000
local terms energy: -29.722697
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -6.332
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -4.375
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: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -36.554013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.554013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.554013 (E_RNA)
where:
Base-Base interactions energy: -14.782
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.061
local terms energy: -21.710772
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -4.583
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: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -38.325228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.325228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.325228 (E_RNA)
where:
Base-Base interactions energy: -13.221
where: short stacking energy: -13.221
Base-Backbone interact. energy: -0.015
local terms energy: -25.089308
where:
bonds (distance) C4'-P energy: -5.396
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -4.342
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -35.803791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.803791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.803791 (E_RNA)
where:
Base-Base interactions energy: -12.504
where: short stacking energy: -12.504
Base-Backbone interact. energy: -0.000
local terms energy: -23.299853
where:
bonds (distance) C4'-P energy: -3.115
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -4.520
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: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -37.511047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.511047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.511047 (E_RNA)
where:
Base-Base interactions energy: -13.466
where: short stacking energy: -13.427
Base-Backbone interact. energy: -0.001
local terms energy: -24.044228
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -56.081795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.081795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.081795 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.000
local terms energy: -29.657082
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -8.021
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -52.356463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.356463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.356463 (E_RNA)
where:
Base-Base interactions energy: -23.323
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.000
local terms energy: -29.033543
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -44.420748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.420748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.420748 (E_RNA)
where:
Base-Base interactions energy: -13.814
where: short stacking energy: -13.814
Base-Backbone interact. energy: -0.008
local terms energy: -30.599256
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -5.533
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: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -39.562250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.562250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.562250 (E_RNA)
where:
Base-Base interactions energy: -14.639
where: short stacking energy: -7.889
Base-Backbone interact. energy: -0.632
local terms energy: -24.291456
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -2.618
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -40.875359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.875359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.875359 (E_RNA)
where:
Base-Base interactions energy: -15.186
where: short stacking energy: -15.186
Base-Backbone interact. energy: -0.076
local terms energy: -25.613385
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -4.926
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -2.970
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: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -34.465806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.465806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.465806 (E_RNA)
where:
Base-Base interactions energy: -8.033
where: short stacking energy: -7.840
Base-Backbone interact. energy: -0.002
local terms energy: -26.430436
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.855
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -37.364435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.364435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.364435 (E_RNA)
where:
Base-Base interactions energy: -11.874
where: short stacking energy: -11.874
Base-Backbone interact. energy: -0.172
local terms energy: -25.318058
where:
bonds (distance) C4'-P energy: -5.231
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -36.933065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.933065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.933065 (E_RNA)
where:
Base-Base interactions energy: -19.974
where: short stacking energy: -16.096
Base-Backbone interact. energy: -0.006
local terms energy: -16.953223
where:
bonds (distance) C4'-P energy: -2.473
bonds (distance) P-C4' energy: -4.212
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -33.467573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.467573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.467573 (E_RNA)
where:
Base-Base interactions energy: -11.531
where: short stacking energy: -11.531
Base-Backbone interact. energy: 0.378
local terms energy: -22.314956
where:
bonds (distance) C4'-P energy: -4.511
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -2.980
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -34.324394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.324394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.324394 (E_RNA)
where:
Base-Base interactions energy: -10.067
where: short stacking energy: -10.067
Base-Backbone interact. energy: -0.212
local terms energy: -24.045537
where:
bonds (distance) C4'-P energy: -4.378
bonds (distance) P-C4' energy: -5.557
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -50.810410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.810410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.810410 (E_RNA)
where:
Base-Base interactions energy: -21.038
where: short stacking energy: -19.157
Base-Backbone interact. energy: -0.001
local terms energy: -29.771489
where:
bonds (distance) C4'-P energy: -6.407
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -52.255336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.255336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.255336 (E_RNA)
where:
Base-Base interactions energy: -25.017
where: short stacking energy: -23.467
Base-Backbone interact. energy: -0.000
local terms energy: -27.238441
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -4.912
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: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -42.899337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.899337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.899337 (E_RNA)
where:
Base-Base interactions energy: -21.653
where: short stacking energy: -16.628
Base-Backbone interact. energy: 0.183
local terms energy: -21.429417
where:
bonds (distance) C4'-P energy: -5.049
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.068
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -42.388122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.388122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.388122 (E_RNA)
where:
Base-Base interactions energy: -15.027
where: short stacking energy: -14.687
Base-Backbone interact. energy: -0.001
local terms energy: -27.359534
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -4.764
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: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -42.677786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.677786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.677786 (E_RNA)
where:
Base-Base interactions energy: -13.304
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.000
local terms energy: -29.373929
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -38.449432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.449432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.449432 (E_RNA)
where:
Base-Base interactions energy: -16.636
where: short stacking energy: -16.636
Base-Backbone interact. energy: -0.000
local terms energy: -21.812788
where:
bonds (distance) C4'-P energy: -3.992
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -42.911039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.911039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.911039 (E_RNA)
where:
Base-Base interactions energy: -17.864
where: short stacking energy: -17.864
Base-Backbone interact. energy: -0.000
local terms energy: -25.047497
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -39.816307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.816307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.816307 (E_RNA)
where:
Base-Base interactions energy: -12.904
where: short stacking energy: -12.904
Base-Backbone interact. energy: -0.000
local terms energy: -26.912276
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -39.189770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.189770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.189770 (E_RNA)
where:
Base-Base interactions energy: -16.571
where: short stacking energy: -16.571
Base-Backbone interact. energy: -0.004
local terms energy: -22.614855
where:
bonds (distance) C4'-P energy: -3.525
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -4.862
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -37.692418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.692418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.692418 (E_RNA)
where:
Base-Base interactions energy: -15.568
where: short stacking energy: -15.568
Base-Backbone interact. energy: -0.026
local terms energy: -22.098014
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -5.417
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -55.934623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.934623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.934623 (E_RNA)
where:
Base-Base interactions energy: -31.816
where: short stacking energy: -26.643
Base-Backbone interact. energy: -0.001
local terms energy: -24.118234
where:
bonds (distance) C4'-P energy: -3.604
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -56.920585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.920585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.920585 (E_RNA)
where:
Base-Base interactions energy: -26.273
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.000
local terms energy: -30.647708
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -43.357593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.357593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.357593 (E_RNA)
where:
Base-Base interactions energy: -18.530
where: short stacking energy: -17.832
Base-Backbone interact. energy: -0.485
local terms energy: -24.343162
where:
bonds (distance) C4'-P energy: -4.627
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -39.674410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.674410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.674410 (E_RNA)
where:
Base-Base interactions energy: -14.864
where: short stacking energy: -14.864
Base-Backbone interact. energy: -0.000
local terms energy: -24.810629
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -55.064864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.064864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.064864 (E_RNA)
where:
Base-Base interactions energy: -26.486
where: short stacking energy: -26.486
Base-Backbone interact. energy: -0.000
local terms energy: -28.578368
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -5.057
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -37.415462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.415462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.415462 (E_RNA)
where:
Base-Base interactions energy: -12.152
where: short stacking energy: -11.854
Base-Backbone interact. energy: -0.144
local terms energy: -25.118729
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -39.461591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.461591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.461591 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -15.548
Base-Backbone interact. energy: 0.612
local terms energy: -24.525748
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.855
flat angles P-C4'-P energy: -1.544
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -36.201987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.201987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.201987 (E_RNA)
where:
Base-Base interactions energy: -14.259
where: short stacking energy: -11.519
Base-Backbone interact. energy: -0.017
local terms energy: -21.926275
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -3.216
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -33.646979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.646979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.646979 (E_RNA)
where:
Base-Base interactions energy: -8.671
where: short stacking energy: -8.671
Base-Backbone interact. energy: -0.018
local terms energy: -24.957441
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -5.174
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -31.113393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.113393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.113393 (E_RNA)
where:
Base-Base interactions energy: -11.373
where: short stacking energy: -11.373
Base-Backbone interact. energy: -0.017
local terms energy: -19.722926
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -4.922
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -51.222566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.222566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.222566 (E_RNA)
where:
Base-Base interactions energy: -22.254
where: short stacking energy: -21.640
Base-Backbone interact. energy: -0.000
local terms energy: -28.968244
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -52.206068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.206068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.206068 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -19.616
Base-Backbone interact. energy: -0.000
local terms energy: -30.642091
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -49.359147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.359147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.359147 (E_RNA)
where:
Base-Base interactions energy: -22.285
where: short stacking energy: -20.189
Base-Backbone interact. energy: -0.073
local terms energy: -27.000507
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -6.152
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -53.454432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.454432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.454432 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.000
local terms energy: -29.805994
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.261
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -42.488905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.488905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.488905 (E_RNA)
where:
Base-Base interactions energy: -13.461
where: short stacking energy: -12.603
Base-Backbone interact. energy: -0.299
local terms energy: -28.729630
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -4.336
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -40.481003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.481003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.481003 (E_RNA)
where:
Base-Base interactions energy: -20.556
where: short stacking energy: -20.556
Base-Backbone interact. energy: -0.003
local terms energy: -19.922043
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -2.762
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: -4.185
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -45.574896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.574896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.574896 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -19.358
Base-Backbone interact. energy: -0.005
local terms energy: -26.212152
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -6.300
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -36.203831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.203831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.203831 (E_RNA)
where:
Base-Base interactions energy: -13.522
where: short stacking energy: -12.552
Base-Backbone interact. energy: -0.028
local terms energy: -22.653912
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -35.464806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.464806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.464806 (E_RNA)
where:
Base-Base interactions energy: -10.687
where: short stacking energy: -10.687
Base-Backbone interact. energy: -0.000
local terms energy: -24.777523
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -1.355
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -30.440699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.440699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.440699 (E_RNA)
where:
Base-Base interactions energy: -14.777
where: short stacking energy: -11.750
Base-Backbone interact. energy: -0.756
local terms energy: -14.907708
where:
bonds (distance) C4'-P energy: -3.504
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -62.030356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.030356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.030356 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.000
local terms energy: -31.419677
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -7.982
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: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -50.110812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.110812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.110812 (E_RNA)
where:
Base-Base interactions energy: -17.710
where: short stacking energy: -17.710
Base-Backbone interact. energy: -0.000
local terms energy: -32.400334
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -41.929179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.929179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.929179 (E_RNA)
where:
Base-Base interactions energy: -15.386
where: short stacking energy: -15.386
Base-Backbone interact. energy: -0.063
local terms energy: -26.480593
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.465
flat angles P-C4'-P energy: -2.219
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -46.089871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.089871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.089871 (E_RNA)
where:
Base-Base interactions energy: -19.411
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.000
local terms energy: -26.678949
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -46.682079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.682079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.682079 (E_RNA)
where:
Base-Base interactions energy: -23.477
where: short stacking energy: -23.477
Base-Backbone interact. energy: -0.000
local terms energy: -23.204418
where:
bonds (distance) C4'-P energy: -4.764
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -0.450
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -37.159217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.159217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.159217 (E_RNA)
where:
Base-Base interactions energy: -15.800
where: short stacking energy: -10.335
Base-Backbone interact. energy: -0.092
local terms energy: -21.267301
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.201
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: 1.800
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: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -38.393261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.393261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.393261 (E_RNA)
where:
Base-Base interactions energy: -14.029
where: short stacking energy: -14.029
Base-Backbone interact. energy: -0.000
local terms energy: -24.364706
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -4.612
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -44.168778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.168778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.168778 (E_RNA)
where:
Base-Base interactions energy: -19.650
where: short stacking energy: -17.359
Base-Backbone interact. energy: -0.000
local terms energy: -24.518463
where:
bonds (distance) C4'-P energy: -3.500
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -38.738615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.738615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.738615 (E_RNA)
where:
Base-Base interactions energy: -14.607
where: short stacking energy: -14.607
Base-Backbone interact. energy: -0.000
local terms energy: -24.132007
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -3.473
flat angles C4'-P-C4' energy: -5.846
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -32.425598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.425598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.425598 (E_RNA)
where:
Base-Base interactions energy: -13.326
where: short stacking energy: -11.814
Base-Backbone interact. energy: -0.027
local terms energy: -19.072055
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -1.700
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -51.106573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.106573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.106573 (E_RNA)
where:
Base-Base interactions energy: -20.562
where: short stacking energy: -20.562
Base-Backbone interact. energy: -0.001
local terms energy: -30.543556
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -5.526
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -50.956497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.956497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.956497 (E_RNA)
where:
Base-Base interactions energy: -20.981
where: short stacking energy: -20.981
Base-Backbone interact. energy: -0.034
local terms energy: -29.941389
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -44.358817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.358817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.358817 (E_RNA)
where:
Base-Base interactions energy: -17.301
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.000
local terms energy: -27.057455
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -3.907
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -4.439
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: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -49.891971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.891971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.891971 (E_RNA)
where:
Base-Base interactions energy: -23.683
where: short stacking energy: -23.683
Base-Backbone interact. energy: -0.000
local terms energy: -26.208783
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -5.321
flat angles C4'-P-C4' energy: -5.016
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -37.612070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.612070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.612070 (E_RNA)
where:
Base-Base interactions energy: -10.739
where: short stacking energy: -9.504
Base-Backbone interact. energy: -0.011
local terms energy: -26.861540
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.533
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -36.472139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.472139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.472139 (E_RNA)
where:
Base-Base interactions energy: -14.648
where: short stacking energy: -10.546
Base-Backbone interact. energy: -0.772
local terms energy: -21.051990
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -0.918
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: 162
Temperature: 1.200000
Total energy: -42.881715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.881715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.881715 (E_RNA)
where:
Base-Base interactions energy: -18.604
where: short stacking energy: -16.133
Base-Backbone interact. energy: -0.714
local terms energy: -23.563565
where:
bonds (distance) C4'-P energy: -3.098
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -3.977
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -37.244009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.244009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.244009 (E_RNA)
where:
Base-Base interactions energy: -12.502
where: short stacking energy: -12.502
Base-Backbone interact. energy: -0.000
local terms energy: -24.741523
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -5.389
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -4.391
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: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -35.223489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.223489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.223489 (E_RNA)
where:
Base-Base interactions energy: -12.274
where: short stacking energy: -12.274
Base-Backbone interact. energy: -0.010
local terms energy: -22.939392
where:
bonds (distance) C4'-P energy: -4.192
bonds (distance) P-C4' energy: -6.139
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -35.068415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.068415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.068415 (E_RNA)
where:
Base-Base interactions energy: -12.728
where: short stacking energy: -12.728
Base-Backbone interact. energy: -0.226
local terms energy: -22.113979
where:
bonds (distance) C4'-P energy: -4.751
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -3.649
flat angles P-C4'-P energy: -4.912
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: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -54.139465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.139465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.139465 (E_RNA)
where:
Base-Base interactions energy: -23.215
where: short stacking energy: -23.215
Base-Backbone interact. energy: -0.000
local terms energy: -30.924036
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -6.961
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: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -45.766475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.766475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.766475 (E_RNA)
where:
Base-Base interactions energy: -17.400
where: short stacking energy: -17.400
Base-Backbone interact. energy: 0.118
local terms energy: -28.484757
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -47.030367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.030367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.030367 (E_RNA)
where:
Base-Base interactions energy: -17.938
where: short stacking energy: -17.938
Base-Backbone interact. energy: -0.000
local terms energy: -29.092717
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -6.320
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -6.051
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: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -43.687933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.687933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.687933 (E_RNA)
where:
Base-Base interactions energy: -16.799
where: short stacking energy: -16.799
Base-Backbone interact. energy: -0.012
local terms energy: -26.876530
where:
bonds (distance) C4'-P energy: -4.987
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -4.657
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -47.232028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.232028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.232028 (E_RNA)
where:
Base-Base interactions energy: -18.357
where: short stacking energy: -17.000
Base-Backbone interact. energy: -0.003
local terms energy: -28.872753
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.106
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -3.472
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: 163
Temperature: 1.150000
Total energy: -34.435069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.435069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.435069 (E_RNA)
where:
Base-Base interactions energy: -11.766
where: short stacking energy: -11.766
Base-Backbone interact. energy: -0.177
local terms energy: -22.491909
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -5.386
flat angles P-C4'-P energy: -2.507
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -34.656207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.656207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.656207 (E_RNA)
where:
Base-Base interactions energy: -14.631
where: short stacking energy: -12.530
Base-Backbone interact. energy: -0.202
local terms energy: -19.823519
where:
bonds (distance) C4'-P energy: -6.598
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -2.472
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: 2.047
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -38.519836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.519836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.519836 (E_RNA)
where:
Base-Base interactions energy: -16.535
where: short stacking energy: -10.460
Base-Backbone interact. energy: -0.402
local terms energy: -21.582394
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.442
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -39.874479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.874479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.874479 (E_RNA)
where:
Base-Base interactions energy: -11.251
where: short stacking energy: -11.251
Base-Backbone interact. energy: -0.017
local terms energy: -28.606373
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -37.256797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.256797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.256797 (E_RNA)
where:
Base-Base interactions energy: -11.382
where: short stacking energy: -11.382
Base-Backbone interact. energy: -0.004
local terms energy: -25.870758
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.016
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -54.667848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.667848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.667848 (E_RNA)
where:
Base-Base interactions energy: -26.048
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.002
local terms energy: -28.617359
where:
bonds (distance) C4'-P energy: -5.430
bonds (distance) P-C4' energy: -6.477
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -50.129340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.129340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.129340 (E_RNA)
where:
Base-Base interactions energy: -22.981
where: short stacking energy: -22.981
Base-Backbone interact. energy: -0.009
local terms energy: -27.139804
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -4.915
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -41.964627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.964627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.964627 (E_RNA)
where:
Base-Base interactions energy: -15.908
where: short stacking energy: -15.908
Base-Backbone interact. energy: -0.061
local terms energy: -25.995690
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -45.123957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.123957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.123957 (E_RNA)
where:
Base-Base interactions energy: -18.217
where: short stacking energy: -18.217
Base-Backbone interact. energy: -0.001
local terms energy: -26.905322
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -1.020
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -45.674983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.674983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.674983 (E_RNA)
where:
Base-Base interactions energy: -19.576
where: short stacking energy: -19.576
Base-Backbone interact. energy: -0.000
local terms energy: -26.098954
where:
bonds (distance) C4'-P energy: -4.354
bonds (distance) P-C4' energy: -4.125
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -5.816
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: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -35.033003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.033003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.033003 (E_RNA)
where:
Base-Base interactions energy: -12.154
where: short stacking energy: -12.154
Base-Backbone interact. energy: -0.000
local terms energy: -22.878199
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -42.727508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.727508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.727508 (E_RNA)
where:
Base-Base interactions energy: -14.226
where: short stacking energy: -14.226
Base-Backbone interact. energy: -0.002
local terms energy: -28.499443
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -36.648998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.648998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.648998 (E_RNA)
where:
Base-Base interactions energy: -10.789
where: short stacking energy: -10.789
Base-Backbone interact. energy: -0.017
local terms energy: -25.842485
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.210
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -40.662390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.662390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.662390 (E_RNA)
where:
Base-Base interactions energy: -16.640
where: short stacking energy: -16.640
Base-Backbone interact. energy: -0.014
local terms energy: -24.008037
where:
bonds (distance) C4'-P energy: -3.653
bonds (distance) P-C4' energy: -4.900
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -35.660890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.660890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.660890 (E_RNA)
where:
Base-Base interactions energy: -14.640
where: short stacking energy: -14.640
Base-Backbone interact. energy: -0.000
local terms energy: -21.020394
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.604
flat angles P-C4'-P energy: -1.234
tors. eta vs tors. theta energy: -2.786
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: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -49.198035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.198035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.198035 (E_RNA)
where:
Base-Base interactions energy: -18.674
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.001
local terms energy: -30.523374
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -6.642
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -47.978033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.978033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.978033 (E_RNA)
where:
Base-Base interactions energy: -21.672
where: short stacking energy: -21.672
Base-Backbone interact. energy: -0.069
local terms energy: -26.236856
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -2.116
tors. eta vs tors. theta energy: -6.768
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: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -52.367607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.367607 (E_RNA)
where:
Base-Base interactions energy: -23.641
where: short stacking energy: -23.641
Base-Backbone interact. energy: -0.000
local terms energy: -28.726449
where:
bonds (distance) C4'-P energy: -2.938
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -7.624
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: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -44.772114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.772114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.772114 (E_RNA)
where:
Base-Base interactions energy: -22.266
where: short stacking energy: -20.750
Base-Backbone interact. energy: -0.001
local terms energy: -22.504740
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -1.099
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -3.910
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: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -44.673365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.673365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.673365 (E_RNA)
where:
Base-Base interactions energy: -19.988
where: short stacking energy: -19.278
Base-Backbone interact. energy: -0.089
local terms energy: -24.596789
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -38.743734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.743734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.743734 (E_RNA)
where:
Base-Base interactions energy: -18.317
where: short stacking energy: -18.317
Base-Backbone interact. energy: -0.008
local terms energy: -20.418779
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -4.867
flat angles C4'-P-C4' energy: -2.867
flat angles P-C4'-P energy: -4.824
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -41.426603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.426603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.426603 (E_RNA)
where:
Base-Base interactions energy: -15.212
where: short stacking energy: -15.212
Base-Backbone interact. energy: -0.023
local terms energy: -26.191702
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -31.860826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.860826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.860826 (E_RNA)
where:
Base-Base interactions energy: -12.445
where: short stacking energy: -12.445
Base-Backbone interact. energy: -1.229
local terms energy: -18.187269
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -4.474
flat angles C4'-P-C4' energy: -3.824
flat angles P-C4'-P energy: -0.903
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -38.826674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.826674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.826674 (E_RNA)
where:
Base-Base interactions energy: -17.709
where: short stacking energy: -15.675
Base-Backbone interact. energy: -0.635
local terms energy: -20.482330
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -4.476
flat angles C4'-P-C4' energy: -5.387
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -34.926510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.926510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.926510 (E_RNA)
where:
Base-Base interactions energy: -13.547
where: short stacking energy: -13.547
Base-Backbone interact. energy: -0.000
local terms energy: -21.379251
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: 0.198
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -43.141572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.141572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.141572 (E_RNA)
where:
Base-Base interactions energy: -18.458
where: short stacking energy: -15.572
Base-Backbone interact. energy: -0.063
local terms energy: -24.620436
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -6.266
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -2.836
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -50.090878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.090878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.090878 (E_RNA)
where:
Base-Base interactions energy: -20.190
where: short stacking energy: -20.190
Base-Backbone interact. energy: -0.000
local terms energy: -29.900905
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -48.373586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.373586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.373586 (E_RNA)
where:
Base-Base interactions energy: -18.353
where: short stacking energy: -18.353
Base-Backbone interact. energy: -0.000
local terms energy: -30.021000
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -43.300214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.300214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.300214 (E_RNA)
where:
Base-Base interactions energy: -16.494
where: short stacking energy: -16.053
Base-Backbone interact. energy: -0.938
local terms energy: -25.868051
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -45.092635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.092635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.092635 (E_RNA)
where:
Base-Base interactions energy: -16.868
where: short stacking energy: -16.868
Base-Backbone interact. energy: -0.001
local terms energy: -28.223396
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -38.565775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.565775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.565775 (E_RNA)
where:
Base-Base interactions energy: -13.416
where: short stacking energy: -10.515
Base-Backbone interact. energy: -0.005
local terms energy: -25.144261
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -4.918
flat angles C4'-P-C4' energy: -3.145
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -51.776462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.776462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.776462 (E_RNA)
where:
Base-Base interactions energy: -24.003
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.004
local terms energy: -27.769846
where:
bonds (distance) C4'-P energy: -2.564
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -5.277
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -38.081556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.081556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.081556 (E_RNA)
where:
Base-Base interactions energy: -13.279
where: short stacking energy: -10.327
Base-Backbone interact. energy: -0.000
local terms energy: -24.802098
where:
bonds (distance) C4'-P energy: -4.569
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.878
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -39.054632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.054632 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.016
local terms energy: -22.273731
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -32.686089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.686089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.686089 (E_RNA)
where:
Base-Base interactions energy: -14.420
where: short stacking energy: -14.420
Base-Backbone interact. energy: -0.000
local terms energy: -18.265597
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -1.775
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -2.008
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -55.547317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.547317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.547317 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -24.206
Base-Backbone interact. energy: -0.000
local terms energy: -31.341258
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -54.260673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.260673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.260673 (E_RNA)
where:
Base-Base interactions energy: -25.243
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.000
local terms energy: -29.017314
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -41.834722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.834722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.834722 (E_RNA)
where:
Base-Base interactions energy: -17.905
where: short stacking energy: -16.840
Base-Backbone interact. energy: -0.005
local terms energy: -23.924654
where:
bonds (distance) C4'-P energy: -4.834
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -4.792
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -42.063319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.063319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.063319 (E_RNA)
where:
Base-Base interactions energy: -15.590
where: short stacking energy: -15.590
Base-Backbone interact. energy: -0.002
local terms energy: -26.472192
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.266
flat angles C4'-P-C4' energy: -5.651
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -40.943931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.943931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.943931 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -19.175
Base-Backbone interact. energy: -0.082
local terms energy: -21.362042
where:
bonds (distance) C4'-P energy: -2.104
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.371
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -1.181
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -42.433598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.433598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.433598 (E_RNA)
where:
Base-Base interactions energy: -16.436
where: short stacking energy: -15.770
Base-Backbone interact. energy: -0.001
local terms energy: -25.997318
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.484
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -2.551
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -40.468694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.468694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.468694 (E_RNA)
where:
Base-Base interactions energy: -16.483
where: short stacking energy: -14.387
Base-Backbone interact. energy: 0.862
local terms energy: -24.847311
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -1.441
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -34.281490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.281490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.281490 (E_RNA)
where:
Base-Base interactions energy: -16.165
where: short stacking energy: -13.963
Base-Backbone interact. energy: -0.014
local terms energy: -18.102844
where:
bonds (distance) C4'-P energy: -4.104
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -2.323
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -30.197644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.197644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.197644 (E_RNA)
where:
Base-Base interactions energy: -14.207
where: short stacking energy: -14.207
Base-Backbone interact. energy: -0.193
local terms energy: -15.797643
where:
bonds (distance) C4'-P energy: -2.677
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -5.481
flat angles P-C4'-P energy: -2.735
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: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -39.979582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.979582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.979582 (E_RNA)
where:
Base-Base interactions energy: -14.963
where: short stacking energy: -14.963
Base-Backbone interact. energy: -0.000
local terms energy: -25.016659
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -58.536613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.536613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.536613 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.000
local terms energy: -30.691695
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -5.236
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: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -57.384749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.384749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.384749 (E_RNA)
where:
Base-Base interactions energy: -28.279
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.000
local terms energy: -29.105869
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -49.701804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.701804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.701804 (E_RNA)
where:
Base-Base interactions energy: -20.352
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.000
local terms energy: -29.349955
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -44.900669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.900669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.900669 (E_RNA)
where:
Base-Base interactions energy: -20.743
where: short stacking energy: -20.743
Base-Backbone interact. energy: 0.695
local terms energy: -24.852844
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -4.893
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -48.328005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.328005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.328005 (E_RNA)
where:
Base-Base interactions energy: -22.010
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.001
local terms energy: -26.316496
where:
bonds (distance) C4'-P energy: -3.310
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.880
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -43.587166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.587166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.587166 (E_RNA)
where:
Base-Base interactions energy: -15.779
where: short stacking energy: -15.534
Base-Backbone interact. energy: -0.002
local terms energy: -27.806371
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -43.754747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.754747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.754747 (E_RNA)
where:
Base-Base interactions energy: -14.928
where: short stacking energy: -14.928
Base-Backbone interact. energy: -0.001
local terms energy: -28.826108
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.572
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -41.939595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.939595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.939595 (E_RNA)
where:
Base-Base interactions energy: -15.226
where: short stacking energy: -14.543
Base-Backbone interact. energy: -0.000
local terms energy: -26.713427
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -4.103
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -36.891795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.891795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.891795 (E_RNA)
where:
Base-Base interactions energy: -17.703
where: short stacking energy: -17.703
Base-Backbone interact. energy: -0.004
local terms energy: -19.184419
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -2.342
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -37.057070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.057070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.057070 (E_RNA)
where:
Base-Base interactions energy: -14.235
where: short stacking energy: -14.235
Base-Backbone interact. energy: -0.001
local terms energy: -22.821500
where:
bonds (distance) C4'-P energy: -5.110
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -0.573
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: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -54.318359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.318359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.318359 (E_RNA)
where:
Base-Base interactions energy: -21.812
where: short stacking energy: -21.812
Base-Backbone interact. energy: -0.000
local terms energy: -32.506234
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -8.634
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -53.874743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.874743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.874743 (E_RNA)
where:
Base-Base interactions energy: -25.127
where: short stacking energy: -25.127
Base-Backbone interact. energy: -0.000
local terms energy: -28.747755
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -4.213
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -47.788290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.788290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.788290 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -19.768
Base-Backbone interact. energy: -0.002
local terms energy: -28.018503
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -43.084531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.084531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.084531 (E_RNA)
where:
Base-Base interactions energy: -18.290
where: short stacking energy: -18.290
Base-Backbone interact. energy: -0.022
local terms energy: -24.771965
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -2.888
tors. eta vs tors. theta energy: -1.223
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: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -41.738966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.738966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.738966 (E_RNA)
where:
Base-Base interactions energy: -14.961
where: short stacking energy: -14.286
Base-Backbone interact. energy: -0.112
local terms energy: -26.665717
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -41.048125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.048125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.048125 (E_RNA)
where:
Base-Base interactions energy: -16.570
where: short stacking energy: -16.570
Base-Backbone interact. energy: -0.190
local terms energy: -24.288199
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -48.262218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.262218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.262218 (E_RNA)
where:
Base-Base interactions energy: -18.820
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.000
local terms energy: -29.442285
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.963
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -39.798009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.798009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.798009 (E_RNA)
where:
Base-Base interactions energy: -18.601
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.014
local terms energy: -21.182979
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: 0.717
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -37.675002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.675002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.675002 (E_RNA)
where:
Base-Base interactions energy: -15.036
where: short stacking energy: -13.024
Base-Backbone interact. energy: 1.058
local terms energy: -23.696738
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.245
flat angles P-C4'-P energy: -2.770
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -32.097079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.097079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.097079 (E_RNA)
where:
Base-Base interactions energy: -12.946
where: short stacking energy: -11.670
Base-Backbone interact. energy: 1.530
local terms energy: -20.681503
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.110
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -58.451408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.451408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.451408 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -24.666
Base-Backbone interact. energy: -0.016
local terms energy: -30.205161
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -6.431
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -54.544375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.544375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.544375 (E_RNA)
where:
Base-Base interactions energy: -21.667
where: short stacking energy: -21.667
Base-Backbone interact. energy: -0.002
local terms energy: -32.875304
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -6.304
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: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -47.309156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.309156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.309156 (E_RNA)
where:
Base-Base interactions energy: -18.839
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.000
local terms energy: -28.469975
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -43.508129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.508129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.508129 (E_RNA)
where:
Base-Base interactions energy: -16.941
where: short stacking energy: -16.941
Base-Backbone interact. energy: -0.007
local terms energy: -26.560129
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -38.786395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.786395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.786395 (E_RNA)
where:
Base-Base interactions energy: -16.949
where: short stacking energy: -16.949
Base-Backbone interact. energy: -0.018
local terms energy: -21.819837
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -3.847
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -37.550787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.550787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.550787 (E_RNA)
where:
Base-Base interactions energy: -17.234
where: short stacking energy: -17.234
Base-Backbone interact. energy: -0.074
local terms energy: -20.242796
where:
bonds (distance) C4'-P energy: -3.674
bonds (distance) P-C4' energy: -3.741
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -38.245869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.245869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.245869 (E_RNA)
where:
Base-Base interactions energy: -12.255
where: short stacking energy: -10.543
Base-Backbone interact. energy: -0.109
local terms energy: -25.881959
where:
bonds (distance) C4'-P energy: -5.636
bonds (distance) P-C4' energy: -6.290
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -5.143
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: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -36.656640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.656640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.656640 (E_RNA)
where:
Base-Base interactions energy: -12.478
where: short stacking energy: -12.478
Base-Backbone interact. energy: -0.000
local terms energy: -24.179061
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -4.656
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -40.442979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.442979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.442979 (E_RNA)
where:
Base-Base interactions energy: -15.147
where: short stacking energy: -15.147
Base-Backbone interact. energy: -0.003
local terms energy: -25.292751
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -1.903
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -38.656864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.656864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.656864 (E_RNA)
where:
Base-Base interactions energy: -14.159
where: short stacking energy: -12.229
Base-Backbone interact. energy: -0.006
local terms energy: -24.491485
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.325
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -1.119
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: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -52.493814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.493814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.493814 (E_RNA)
where:
Base-Base interactions energy: -24.184
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.003
local terms energy: -28.306859
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -5.065
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -51.228923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.228923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.228923 (E_RNA)
where:
Base-Base interactions energy: -22.802
where: short stacking energy: -22.802
Base-Backbone interact. energy: -0.000
local terms energy: -28.426876
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -39.094522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.094522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.094522 (E_RNA)
where:
Base-Base interactions energy: -14.204
where: short stacking energy: -12.615
Base-Backbone interact. energy: -0.157
local terms energy: -24.733790
where:
bonds (distance) C4'-P energy: -4.746
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -3.919
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: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -48.486742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.486742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.486742 (E_RNA)
where:
Base-Base interactions energy: -19.927
where: short stacking energy: -19.927
Base-Backbone interact. energy: -0.000
local terms energy: -28.559108
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -39.513927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.513927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.513927 (E_RNA)
where:
Base-Base interactions energy: -11.889
where: short stacking energy: -11.889
Base-Backbone interact. energy: -0.131
local terms energy: -27.494415
where:
bonds (distance) C4'-P energy: -4.544
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -7.121
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -4.531
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -41.181035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.181035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.181035 (E_RNA)
where:
Base-Base interactions energy: -14.987
where: short stacking energy: -14.987
Base-Backbone interact. energy: -0.113
local terms energy: -26.081451
where:
bonds (distance) C4'-P energy: -4.067
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -3.664
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: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -43.193495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.193495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.193495 (E_RNA)
where:
Base-Base interactions energy: -19.448
where: short stacking energy: -15.200
Base-Backbone interact. energy: -0.496
local terms energy: -23.249754
where:
bonds (distance) C4'-P energy: -4.233
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -3.000
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -44.432110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.432110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.432110 (E_RNA)
where:
Base-Base interactions energy: -19.529
where: short stacking energy: -19.529
Base-Backbone interact. energy: -0.000
local terms energy: -24.902686
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.917
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -5.644
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: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -43.111478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.111478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.111478 (E_RNA)
where:
Base-Base interactions energy: -16.140
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.004
local terms energy: -26.968105
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.224
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -40.144974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.144974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.144974 (E_RNA)
where:
Base-Base interactions energy: -13.045
where: short stacking energy: -13.045
Base-Backbone interact. energy: -0.000
local terms energy: -27.099836
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -61.317514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.317514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.317514 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.000
local terms energy: -32.854669
where:
bonds (distance) C4'-P energy: -4.101
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -9.208
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: 172
Temperature: 0.950000
Total energy: -54.384032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.384032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.384032 (E_RNA)
where:
Base-Base interactions energy: -22.802
where: short stacking energy: -22.802
Base-Backbone interact. energy: -0.000
local terms energy: -31.581990
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -41.298814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.298814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.298814 (E_RNA)
where:
Base-Base interactions energy: -13.953
where: short stacking energy: -13.042
Base-Backbone interact. energy: -0.001
local terms energy: -27.345200
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -4.493
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -47.898119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.898119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.898119 (E_RNA)
where:
Base-Base interactions energy: -20.177
where: short stacking energy: -20.177
Base-Backbone interact. energy: -0.287
local terms energy: -27.433529
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -4.179
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: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -50.050383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.050383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.050383 (E_RNA)
where:
Base-Base interactions energy: -20.903
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.000
local terms energy: -29.147256
where:
bonds (distance) C4'-P energy: -4.953
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -32.632885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.632885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.632885 (E_RNA)
where:
Base-Base interactions energy: -8.496
where: short stacking energy: -5.785
Base-Backbone interact. energy: -0.119
local terms energy: -24.018619
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -36.530916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.530916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.530916 (E_RNA)
where:
Base-Base interactions energy: -10.060
where: short stacking energy: -10.060
Base-Backbone interact. energy: -0.281
local terms energy: -26.189094
where:
bonds (distance) C4'-P energy: -5.052
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -40.893259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.893259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.893259 (E_RNA)
where:
Base-Base interactions energy: -12.394
where: short stacking energy: -12.394
Base-Backbone interact. energy: -0.000
local terms energy: -28.499498
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -5.936
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: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -34.858183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.858183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.858183 (E_RNA)
where:
Base-Base interactions energy: -11.977
where: short stacking energy: -11.977
Base-Backbone interact. energy: -0.002
local terms energy: -22.879010
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.165
flat angles P-C4'-P energy: -2.408
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: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -31.023053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.023053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.023053 (E_RNA)
where:
Base-Base interactions energy: -9.845
where: short stacking energy: -9.845
Base-Backbone interact. energy: 0.226
local terms energy: -21.403789
where:
bonds (distance) C4'-P energy: -3.178
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -52.671784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.671784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.671784 (E_RNA)
where:
Base-Base interactions energy: -25.337
where: short stacking energy: -25.337
Base-Backbone interact. energy: -0.001
local terms energy: -27.333833
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -3.501
flat angles P-C4'-P energy: -4.389
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: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -54.857967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.857967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.857967 (E_RNA)
where:
Base-Base interactions energy: -26.332
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.000
local terms energy: -28.526148
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -4.022
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -8.090
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: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -44.433701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.433701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.433701 (E_RNA)
where:
Base-Base interactions energy: -16.492
where: short stacking energy: -16.492
Base-Backbone interact. energy: -0.005
local terms energy: -27.937036
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -39.968118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.968118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.968118 (E_RNA)
where:
Base-Base interactions energy: -14.436
where: short stacking energy: -14.436
Base-Backbone interact. energy: -0.000
local terms energy: -25.532132
where:
bonds (distance) C4'-P energy: -3.815
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -38.976637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.976637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.976637 (E_RNA)
where:
Base-Base interactions energy: -14.640
where: short stacking energy: -14.640
Base-Backbone interact. energy: -0.018
local terms energy: -24.318678
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -4.298
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: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -46.166232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.166232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.166232 (E_RNA)
where:
Base-Base interactions energy: -17.558
where: short stacking energy: -17.558
Base-Backbone interact. energy: -0.000
local terms energy: -28.607802
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -4.854
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: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -42.624253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.624253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.624253 (E_RNA)
where:
Base-Base interactions energy: -17.180
where: short stacking energy: -16.381
Base-Backbone interact. energy: -0.013
local terms energy: -25.431204
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.001
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -38.690640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.690640 (E_RNA)
where:
Base-Base interactions energy: -15.763
where: short stacking energy: -15.763
Base-Backbone interact. energy: -0.000
local terms energy: -22.927515
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -5.011
flat angles P-C4'-P energy: -0.108
tors. eta vs tors. theta energy: -5.239
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: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -32.406994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.406994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.406994 (E_RNA)
where:
Base-Base interactions energy: -7.567
where: short stacking energy: -7.567
Base-Backbone interact. energy: -0.001
local terms energy: -24.839484
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -3.357
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -44.928456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.928456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.928456 (E_RNA)
where:
Base-Base interactions energy: -18.370
where: short stacking energy: -18.370
Base-Backbone interact. energy: -0.000
local terms energy: -26.558412
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -54.147350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.147350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.147350 (E_RNA)
where:
Base-Base interactions energy: -23.178
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.000
local terms energy: -30.968910
where:
bonds (distance) C4'-P energy: -4.684
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -47.701925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.701925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.701925 (E_RNA)
where:
Base-Base interactions energy: -20.105
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.058
local terms energy: -27.538921
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -48.517407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.517407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.517407 (E_RNA)
where:
Base-Base interactions energy: -22.201
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.000
local terms energy: -26.316103
where:
bonds (distance) C4'-P energy: -3.460
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.438
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -7.350
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: 174
Temperature: 1.050000
Total energy: -44.920323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.920323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.920323 (E_RNA)
where:
Base-Base interactions energy: -15.368
where: short stacking energy: -15.368
Base-Backbone interact. energy: -0.000
local terms energy: -29.551961
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -43.318519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.318519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.318519 (E_RNA)
where:
Base-Base interactions energy: -19.169
where: short stacking energy: -17.665
Base-Backbone interact. energy: -0.025
local terms energy: -24.125462
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -2.266
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -43.752302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.752302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.752302 (E_RNA)
where:
Base-Base interactions energy: -17.046
where: short stacking energy: -17.046
Base-Backbone interact. energy: -0.101
local terms energy: -26.604825
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -37.628892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.628892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.628892 (E_RNA)
where:
Base-Base interactions energy: -16.149
where: short stacking energy: -16.149
Base-Backbone interact. energy: -0.042
local terms energy: -21.437960
where:
bonds (distance) C4'-P energy: -2.808
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -31.823616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.823616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.823616 (E_RNA)
where:
Base-Base interactions energy: -13.701
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.000
local terms energy: -18.122619
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -38.589606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.589606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.589606 (E_RNA)
where:
Base-Base interactions energy: -14.509
where: short stacking energy: -14.509
Base-Backbone interact. energy: -0.099
local terms energy: -23.981477
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -5.284
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -50.600890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.600890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.600890 (E_RNA)
where:
Base-Base interactions energy: -22.566
where: short stacking energy: -22.566
Base-Backbone interact. energy: -0.000
local terms energy: -28.035160
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -6.470
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: 175
Temperature: 0.900000
Total energy: -56.731800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.731800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.731800 (E_RNA)
where:
Base-Base interactions energy: -24.593
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.000
local terms energy: -32.138934
where:
bonds (distance) C4'-P energy: -6.531
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -7.502
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: 175
Temperature: 0.950000
Total energy: -41.977055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.977055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.977055 (E_RNA)
where:
Base-Base interactions energy: -13.665
where: short stacking energy: -13.665
Base-Backbone interact. energy: -0.000
local terms energy: -28.311750
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -5.287
flat angles C4'-P-C4' energy: -6.744
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -40.794089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.794089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.794089 (E_RNA)
where:
Base-Base interactions energy: -16.904
where: short stacking energy: -16.904
Base-Backbone interact. energy: -0.101
local terms energy: -23.788775
where:
bonds (distance) C4'-P energy: -5.493
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -2.176
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: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -46.602485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.602485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.602485 (E_RNA)
where:
Base-Base interactions energy: -19.980
where: short stacking energy: -19.980
Base-Backbone interact. energy: -0.021
local terms energy: -26.600721
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -4.335
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: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -40.525025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.525025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.525025 (E_RNA)
where:
Base-Base interactions energy: -15.294
where: short stacking energy: -13.428
Base-Backbone interact. energy: -0.021
local terms energy: -25.209339
where:
bonds (distance) C4'-P energy: -4.987
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -36.253394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.253394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.253394 (E_RNA)
where:
Base-Base interactions energy: -13.093
where: short stacking energy: -12.353
Base-Backbone interact. energy: -0.001
local terms energy: -23.159141
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -36.446462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.446462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.446462 (E_RNA)
where:
Base-Base interactions energy: -16.336
where: short stacking energy: -10.763
Base-Backbone interact. energy: -0.014
local terms energy: -20.096725
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -3.833
flat angles C4'-P-C4' energy: -2.889
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -34.369764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.369764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.369764 (E_RNA)
where:
Base-Base interactions energy: -12.638
where: short stacking energy: -11.610
Base-Backbone interact. energy: -0.002
local terms energy: -21.729719
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -37.644872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.644872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.644872 (E_RNA)
where:
Base-Base interactions energy: -10.529
where: short stacking energy: -10.529
Base-Backbone interact. energy: -0.001
local terms energy: -27.115504
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -31.984350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.984350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.984350 (E_RNA)
where:
Base-Base interactions energy: -14.869
where: short stacking energy: -13.564
Base-Backbone interact. energy: -0.012
local terms energy: -17.103074
where:
bonds (distance) C4'-P energy: 0.072
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -60.559122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.559122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.559122 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.000
local terms energy: -32.438901
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -5.188
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -53.088108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.088108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.088108 (E_RNA)
where:
Base-Base interactions energy: -21.516
where: short stacking energy: -20.535
Base-Backbone interact. energy: -0.000
local terms energy: -31.571912
where:
bonds (distance) C4'-P energy: -4.938
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.892
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -42.763160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.763160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.763160 (E_RNA)
where:
Base-Base interactions energy: -18.997
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.000
local terms energy: -23.766197
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -1.220
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -45.808146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.808146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.808146 (E_RNA)
where:
Base-Base interactions energy: -23.443
where: short stacking energy: -23.443
Base-Backbone interact. energy: -0.012
local terms energy: -22.352639
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -3.496
flat angles C4'-P-C4' energy: -5.682
flat angles P-C4'-P energy: -2.080
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -47.222489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.222489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.222489 (E_RNA)
where:
Base-Base interactions energy: -18.936
where: short stacking energy: -18.936
Base-Backbone interact. energy: -0.000
local terms energy: -28.286270
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -4.898
flat angles C4'-P-C4' energy: -5.136
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -7.463
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: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -37.546455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.546455 (E_RNA)
where:
Base-Base interactions energy: -10.647
where: short stacking energy: -7.861
Base-Backbone interact. energy: -0.144
local terms energy: -26.755664
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -46.381262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.381262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.381262 (E_RNA)
where:
Base-Base interactions energy: -20.538
where: short stacking energy: -20.538
Base-Backbone interact. energy: -0.000
local terms energy: -25.843577
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -1.833
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -31.347248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.347248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.347248 (E_RNA)
where:
Base-Base interactions energy: -10.960
where: short stacking energy: -10.960
Base-Backbone interact. energy: -0.060
local terms energy: -20.327559
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -6.524
flat angles P-C4'-P energy: -4.168
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: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -33.033477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.033477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.033477 (E_RNA)
where:
Base-Base interactions energy: -12.274
where: short stacking energy: -12.274
Base-Backbone interact. energy: -0.005
local terms energy: -20.754506
where:
bonds (distance) C4'-P energy: -4.581
bonds (distance) P-C4' energy: -3.989
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -33.502719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.502719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.502719 (E_RNA)
where:
Base-Base interactions energy: -12.437
where: short stacking energy: -12.437
Base-Backbone interact. energy: -0.000
local terms energy: -21.065157
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.902
flat angles P-C4'-P energy: -1.608
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -52.220777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.220777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.220777 (E_RNA)
where:
Base-Base interactions energy: -24.404
where: short stacking energy: -20.840
Base-Backbone interact. energy: -0.008
local terms energy: -27.808012
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.681
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -50.215770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.215770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.215770 (E_RNA)
where:
Base-Base interactions energy: -18.472
where: short stacking energy: -18.472
Base-Backbone interact. energy: -0.000
local terms energy: -31.743852
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -55.871496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.871496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.871496 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -22.295
Base-Backbone interact. energy: -1.203
local terms energy: -28.129613
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -1.496
tors. eta vs tors. theta energy: -6.313
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: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -43.325026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.325026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.325026 (E_RNA)
where:
Base-Base interactions energy: -16.122
where: short stacking energy: -16.122
Base-Backbone interact. energy: -0.018
local terms energy: -27.184902
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -48.002453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.002453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.002453 (E_RNA)
where:
Base-Base interactions energy: -19.671
where: short stacking energy: -19.671
Base-Backbone interact. energy: -0.000
local terms energy: -28.330924
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -37.574130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.574130 (E_RNA)
where:
Base-Base interactions energy: -10.854
where: short stacking energy: -10.854
Base-Backbone interact. energy: -0.000
local terms energy: -26.720036
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -2.622
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: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -32.239955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.239955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.239955 (E_RNA)
where:
Base-Base interactions energy: -10.733
where: short stacking energy: -10.733
Base-Backbone interact. energy: -0.035
local terms energy: -21.471670
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -33.324971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.324971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.324971 (E_RNA)
where:
Base-Base interactions energy: -10.246
where: short stacking energy: -10.246
Base-Backbone interact. energy: -0.000
local terms energy: -23.078869
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -34.853291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.853291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.853291 (E_RNA)
where:
Base-Base interactions energy: -18.205
where: short stacking energy: -12.243
Base-Backbone interact. energy: 0.017
local terms energy: -16.665611
where:
bonds (distance) C4'-P energy: -1.650
bonds (distance) P-C4' energy: -6.003
flat angles C4'-P-C4' energy: -2.828
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -34.474109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.474109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.474109 (E_RNA)
where:
Base-Base interactions energy: -8.530
where: short stacking energy: -8.530
Base-Backbone interact. energy: -0.000
local terms energy: -25.943809
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -5.472
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: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -61.127244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.127244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.127244 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.000
local terms energy: -30.141875
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.879
flat angles P-C4'-P energy: -1.907
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: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -51.659515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.659515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.659515 (E_RNA)
where:
Base-Base interactions energy: -21.935
where: short stacking energy: -20.031
Base-Backbone interact. energy: -0.000
local terms energy: -29.724294
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.123
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -4.777
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -45.713855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.713855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.713855 (E_RNA)
where:
Base-Base interactions energy: -15.123
where: short stacking energy: -15.123
Base-Backbone interact. energy: -0.000
local terms energy: -30.590371
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -5.283
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -41.128498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.128498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.128498 (E_RNA)
where:
Base-Base interactions energy: -15.812
where: short stacking energy: -15.812
Base-Backbone interact. energy: -0.034
local terms energy: -25.282143
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -3.057
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -41.198336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.198336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.198336 (E_RNA)
where:
Base-Base interactions energy: -11.613
where: short stacking energy: -6.703
Base-Backbone interact. energy: -0.688
local terms energy: -28.897011
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -4.383
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: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -41.070559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.070559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.070559 (E_RNA)
where:
Base-Base interactions energy: -18.159
where: short stacking energy: -16.456
Base-Backbone interact. energy: -0.000
local terms energy: -22.911057
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -1.218
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -41.446174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.446174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.446174 (E_RNA)
where:
Base-Base interactions energy: -16.553
where: short stacking energy: -16.553
Base-Backbone interact. energy: -0.000
local terms energy: -24.892888
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -3.597
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -35.824067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.824067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.824067 (E_RNA)
where:
Base-Base interactions energy: -14.660
where: short stacking energy: -14.660
Base-Backbone interact. energy: -0.010
local terms energy: -21.154295
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -0.994
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: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -39.116517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.116517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.116517 (E_RNA)
where:
Base-Base interactions energy: -10.639
where: short stacking energy: -10.639
Base-Backbone interact. energy: -0.000
local terms energy: -28.477796
where:
bonds (distance) C4'-P energy: -4.453
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.174
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -32.526748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.526748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.526748 (E_RNA)
where:
Base-Base interactions energy: -12.758
where: short stacking energy: -9.893
Base-Backbone interact. energy: -0.193
local terms energy: -19.575855
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: 1.357
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: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -52.979747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.979747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.979747 (E_RNA)
where:
Base-Base interactions energy: -22.934
where: short stacking energy: -22.934
Base-Backbone interact. energy: -0.001
local terms energy: -30.044992
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -48.483546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.483546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.483546 (E_RNA)
where:
Base-Base interactions energy: -18.245
where: short stacking energy: -18.245
Base-Backbone interact. energy: -0.002
local terms energy: -30.235870
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -4.883
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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -42.378500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.378500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.378500 (E_RNA)
where:
Base-Base interactions energy: -16.573
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.022
local terms energy: -25.782893
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -43.054127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.054127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.054127 (E_RNA)
where:
Base-Base interactions energy: -20.173
where: short stacking energy: -20.173
Base-Backbone interact. energy: -0.009
local terms energy: -22.872123
where:
bonds (distance) C4'-P energy: -5.604
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.894
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: -2.099
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: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -40.957231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.957231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.957231 (E_RNA)
where:
Base-Base interactions energy: -18.016
where: short stacking energy: -18.016
Base-Backbone interact. energy: -0.001
local terms energy: -22.940879
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -2.584
flat angles P-C4'-P energy: -2.338
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -42.013744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.013744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.013744 (E_RNA)
where:
Base-Base interactions energy: -16.760
where: short stacking energy: -16.760
Base-Backbone interact. energy: -0.009
local terms energy: -25.245668
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -1.031
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: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -44.043247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.043247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.043247 (E_RNA)
where:
Base-Base interactions energy: -16.669
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.000
local terms energy: -27.374656
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.790
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -39.510615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.510615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.510615 (E_RNA)
where:
Base-Base interactions energy: -16.169
where: short stacking energy: -16.169
Base-Backbone interact. energy: -0.016
local terms energy: -23.325224
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -0.957
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: 179
Temperature: 1.300000
Total energy: -35.716544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.716544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.716544 (E_RNA)
where:
Base-Base interactions energy: -14.407
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.067
local terms energy: -21.242845
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -2.856
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -32.683515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.683515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.683515 (E_RNA)
where:
Base-Base interactions energy: -8.965
where: short stacking energy: -8.965
Base-Backbone interact. energy: -0.001
local terms energy: -23.717477
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -57.985092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.985092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.985092 (E_RNA)
where:
Base-Base interactions energy: -26.947
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.000
local terms energy: -31.038323
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -46.420844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.420844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.420844 (E_RNA)
where:
Base-Base interactions energy: -18.957
where: short stacking energy: -18.957
Base-Backbone interact. energy: -0.099
local terms energy: -27.364240
where:
bonds (distance) C4'-P energy: -4.013
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -5.679
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: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -48.331559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.331559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.331559 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -21.605
Base-Backbone interact. energy: -0.001
local terms energy: -25.950259
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -5.316
flat angles P-C4'-P energy: -1.728
tors. eta vs tors. theta energy: -6.792
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -50.475866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.475866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.475866 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.010
local terms energy: -27.127841
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.442
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -4.027
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: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -38.062422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.062422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.062422 (E_RNA)
where:
Base-Base interactions energy: -15.493
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.144
local terms energy: -22.426270
where:
bonds (distance) C4'-P energy: -3.087
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.270
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -2.204
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: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -44.229825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.229825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.229825 (E_RNA)
where:
Base-Base interactions energy: -14.654
where: short stacking energy: -14.654
Base-Backbone interact. energy: -0.040
local terms energy: -29.536495
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -4.687
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -40.027961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.027961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.027961 (E_RNA)
where:
Base-Base interactions energy: -15.087
where: short stacking energy: -15.087
Base-Backbone interact. energy: -0.000
local terms energy: -24.940930
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.313
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -41.081798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.081798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.081798 (E_RNA)
where:
Base-Base interactions energy: -16.017
where: short stacking energy: -16.017
Base-Backbone interact. energy: -0.001
local terms energy: -25.063415
where:
bonds (distance) C4'-P energy: -4.013
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -33.534744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.534744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.534744 (E_RNA)
where:
Base-Base interactions energy: -9.142
where: short stacking energy: -9.142
Base-Backbone interact. energy: -0.001
local terms energy: -24.392172
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -4.474
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: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -32.371096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.371096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.371096 (E_RNA)
where:
Base-Base interactions energy: -10.439
where: short stacking energy: -10.439
Base-Backbone interact. energy: -0.000
local terms energy: -21.932523
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -53.192159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.192159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.192159 (E_RNA)
where:
Base-Base interactions energy: -23.059
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.075
local terms energy: -30.058885
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -52.096829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.096829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.096829 (E_RNA)
where:
Base-Base interactions energy: -22.835
where: short stacking energy: -22.835
Base-Backbone interact. energy: -0.000
local terms energy: -29.261815
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -6.006
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -4.581
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -47.626774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.626774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.626774 (E_RNA)
where:
Base-Base interactions energy: -21.229
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.005
local terms energy: -26.392811
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -0.651
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -41.786107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.786107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.786107 (E_RNA)
where:
Base-Base interactions energy: -15.764
where: short stacking energy: -13.552
Base-Backbone interact. energy: -0.100
local terms energy: -25.922299
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -53.383849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.383849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.383849 (E_RNA)
where:
Base-Base interactions energy: -22.121
where: short stacking energy: -16.028
Base-Backbone interact. energy: -0.000
local terms energy: -31.262815
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -39.476877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.476877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.476877 (E_RNA)
where:
Base-Base interactions energy: -13.625
where: short stacking energy: -13.625
Base-Backbone interact. energy: -0.667
local terms energy: -25.185439
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -6.340
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -38.403676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.403676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.403676 (E_RNA)
where:
Base-Base interactions energy: -18.693
where: short stacking energy: -13.140
Base-Backbone interact. energy: -0.019
local terms energy: -19.691438
where:
bonds (distance) C4'-P energy: -1.757
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -1.958
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: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -32.627694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.627694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.627694 (E_RNA)
where:
Base-Base interactions energy: -9.867
where: short stacking energy: -7.626
Base-Backbone interact. energy: 0.641
local terms energy: -23.402660
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -33.578945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.578945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.578945 (E_RNA)
where:
Base-Base interactions energy: -11.339
where: short stacking energy: -11.339
Base-Backbone interact. energy: -0.000
local terms energy: -22.239445
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -5.056
flat angles P-C4'-P energy: -2.047
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -33.024553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.024553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.024553 (E_RNA)
where:
Base-Base interactions energy: -14.093
where: short stacking energy: -11.886
Base-Backbone interact. energy: -0.003
local terms energy: -18.928561
where:
bonds (distance) C4'-P energy: -5.210
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.739
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -46.833458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.833458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.833458 (E_RNA)
where:
Base-Base interactions energy: -20.927
where: short stacking energy: -17.096
Base-Backbone interact. energy: -0.042
local terms energy: -25.863789
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -2.759
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: 182
Temperature: 0.950000
Total energy: -51.251410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.251410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.251410 (E_RNA)
where:
Base-Base interactions energy: -23.672
where: short stacking energy: -22.184
Base-Backbone interact. energy: -0.003
local terms energy: -27.576160
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -39.293553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.293553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.293553 (E_RNA)
where:
Base-Base interactions energy: -15.108
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.104
local terms energy: -24.081528
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -5.557
flat angles C4'-P-C4' energy: -6.713
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -37.482000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.482000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.482000 (E_RNA)
where:
Base-Base interactions energy: -11.609
where: short stacking energy: -11.609
Base-Backbone interact. energy: -0.006
local terms energy: -25.866520
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -3.525
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: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -39.850751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.850751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.850751 (E_RNA)
where:
Base-Base interactions energy: -14.080
where: short stacking energy: -14.080
Base-Backbone interact. energy: -0.002
local terms energy: -25.768644
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -6.503
flat angles P-C4'-P energy: -3.553
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: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -37.705801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.705801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.705801 (E_RNA)
where:
Base-Base interactions energy: -10.788
where: short stacking energy: -10.788
Base-Backbone interact. energy: -0.000
local terms energy: -26.917520
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -4.411
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: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -34.880638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.880638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.880638 (E_RNA)
where:
Base-Base interactions energy: -10.166
where: short stacking energy: -10.166
Base-Backbone interact. energy: -0.099
local terms energy: -24.615455
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -43.262148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.262148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.262148 (E_RNA)
where:
Base-Base interactions energy: -16.224
where: short stacking energy: -16.224
Base-Backbone interact. energy: -0.001
local terms energy: -27.037063
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -4.191
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -36.479162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.479162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.479162 (E_RNA)
where:
Base-Base interactions energy: -12.448
where: short stacking energy: -12.448
Base-Backbone interact. energy: -0.000
local terms energy: -24.030820
where:
bonds (distance) C4'-P energy: -4.668
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.954
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -35.409453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.409453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.409453 (E_RNA)
where:
Base-Base interactions energy: -12.847
where: short stacking energy: -12.847
Base-Backbone interact. energy: -0.005
local terms energy: -22.557307
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -5.087
flat angles C4'-P-C4' energy: -5.790
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -49.322172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.322172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.322172 (E_RNA)
where:
Base-Base interactions energy: -24.889
where: short stacking energy: -24.889
Base-Backbone interact. energy: -0.002
local terms energy: -24.430971
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -3.920
flat angles C4'-P-C4' energy: -4.180
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -61.438945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.438945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.438945 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -27.904
Base-Backbone interact. energy: -0.000
local terms energy: -33.534440
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -7.549
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -8.684
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -40.275753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.275753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.275753 (E_RNA)
where:
Base-Base interactions energy: -15.394
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.082
local terms energy: -24.799525
where:
bonds (distance) C4'-P energy: -5.115
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -3.479
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: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -43.353665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.353665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.353665 (E_RNA)
where:
Base-Base interactions energy: -17.226
where: short stacking energy: -16.544
Base-Backbone interact. energy: -0.008
local terms energy: -26.119814
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -2.348
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: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -46.678600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.678600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.678600 (E_RNA)
where:
Base-Base interactions energy: -19.727
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.000
local terms energy: -26.952063
where:
bonds (distance) C4'-P energy: -4.642
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -35.495891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.495891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.495891 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -11.001
Base-Backbone interact. energy: -0.084
local terms energy: -24.410524
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -36.739050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.739050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.739050 (E_RNA)
where:
Base-Base interactions energy: -12.094
where: short stacking energy: -12.094
Base-Backbone interact. energy: -0.019
local terms energy: -24.625618
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -5.275
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -4.709
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: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -39.713680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.713680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.713680 (E_RNA)
where:
Base-Base interactions energy: -19.197
where: short stacking energy: -19.197
Base-Backbone interact. energy: -0.003
local terms energy: -20.513368
where:
bonds (distance) C4'-P energy: -3.997
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -3.173
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: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -35.603831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.603831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.603831 (E_RNA)
where:
Base-Base interactions energy: -10.545
where: short stacking energy: -9.327
Base-Backbone interact. energy: 0.568
local terms energy: -25.627189
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -2.341
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: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -31.171497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.171497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.171497 (E_RNA)
where:
Base-Base interactions energy: -8.470
where: short stacking energy: -8.470
Base-Backbone interact. energy: -0.025
local terms energy: -22.675817
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -43.304738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.304738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.304738 (E_RNA)
where:
Base-Base interactions energy: -15.782
where: short stacking energy: -15.782
Base-Backbone interact. energy: -0.099
local terms energy: -27.423544
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -47.860509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.860509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.860509 (E_RNA)
where:
Base-Base interactions energy: -21.486
where: short stacking energy: -20.755
Base-Backbone interact. energy: -0.061
local terms energy: -26.313352
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -4.752
flat angles C4'-P-C4' energy: -4.814
flat angles P-C4'-P energy: -3.762
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -58.768644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.768644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.768644 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.000
local terms energy: -32.226620
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -8.465
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: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -45.673394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.673394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.673394 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.000
local terms energy: -28.891012
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -6.450
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -4.276
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: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -40.312278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.312278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.312278 (E_RNA)
where:
Base-Base interactions energy: -13.645
where: short stacking energy: -13.645
Base-Backbone interact. energy: -0.075
local terms energy: -26.591845
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.145
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -42.539461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.539461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.539461 (E_RNA)
where:
Base-Base interactions energy: -13.776
where: short stacking energy: -13.776
Base-Backbone interact. energy: 0.732
local terms energy: -29.495388
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -2.526
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -34.884665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.884665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.884665 (E_RNA)
where:
Base-Base interactions energy: -14.805
where: short stacking energy: -13.494
Base-Backbone interact. energy: -0.147
local terms energy: -19.931718
where:
bonds (distance) C4'-P energy: -4.650
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: 1.188
tors. eta vs tors. theta energy: -2.145
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -39.430900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.430900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.430900 (E_RNA)
where:
Base-Base interactions energy: -18.527
where: short stacking energy: -17.301
Base-Backbone interact. energy: -0.000
local terms energy: -20.903674
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: -1.103
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -33.138600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.138600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.138600 (E_RNA)
where:
Base-Base interactions energy: -13.356
where: short stacking energy: -13.356
Base-Backbone interact. energy: -0.057
local terms energy: -19.726094
where:
bonds (distance) C4'-P energy: -3.691
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -2.887
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -1.181
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: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -36.400717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.400717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.400717 (E_RNA)
where:
Base-Base interactions energy: -16.295
where: short stacking energy: -14.425
Base-Backbone interact. energy: -0.083
local terms energy: -20.023371
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -2.202
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: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -40.877763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.877763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.877763 (E_RNA)
where:
Base-Base interactions energy: -15.909
where: short stacking energy: -15.909
Base-Backbone interact. energy: -0.128
local terms energy: -24.840761
where:
bonds (distance) C4'-P energy: -3.711
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -55.122838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.122838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.122838 (E_RNA)
where:
Base-Base interactions energy: -21.659
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.000
local terms energy: -33.463618
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -46.684839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.684839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.684839 (E_RNA)
where:
Base-Base interactions energy: -19.826
where: short stacking energy: -19.826
Base-Backbone interact. energy: -0.048
local terms energy: -26.810504
where:
bonds (distance) C4'-P energy: -4.503
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -41.519284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.519284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.519284 (E_RNA)
where:
Base-Base interactions energy: -19.260
where: short stacking energy: -19.260
Base-Backbone interact. energy: -0.789
local terms energy: -21.470147
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -6.308
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -45.391788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.391788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.391788 (E_RNA)
where:
Base-Base interactions energy: -20.039
where: short stacking energy: -20.039
Base-Backbone interact. energy: -0.025
local terms energy: -25.327529
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -39.664701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.664701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.664701 (E_RNA)
where:
Base-Base interactions energy: -15.148
where: short stacking energy: -15.148
Base-Backbone interact. energy: -0.422
local terms energy: -24.093892
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.477
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -36.555227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.555227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.555227 (E_RNA)
where:
Base-Base interactions energy: -11.492
where: short stacking energy: -11.492
Base-Backbone interact. energy: -0.004
local terms energy: -25.058521
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -6.054
flat angles C4'-P-C4' energy: -5.138
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -3.962
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -38.892640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.892640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.892640 (E_RNA)
where:
Base-Base interactions energy: -16.710
where: short stacking energy: -16.710
Base-Backbone interact. energy: -0.100
local terms energy: -22.082819
where:
bonds (distance) C4'-P energy: -4.520
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -3.887
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -35.664409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.664409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.664409 (E_RNA)
where:
Base-Base interactions energy: -8.234
where: short stacking energy: -8.234
Base-Backbone interact. energy: -0.001
local terms energy: -27.429652
where:
bonds (distance) C4'-P energy: -5.251
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -31.676160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.676160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.676160 (E_RNA)
where:
Base-Base interactions energy: -12.141
where: short stacking energy: -12.141
Base-Backbone interact. energy: -1.046
local terms energy: -18.489777
where:
bonds (distance) C4'-P energy: -5.395
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -60.696625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.696625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.696625 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.000
local terms energy: -33.294245
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -6.940
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: 186
Temperature: 0.950000
Total energy: -47.109578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.109578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.109578 (E_RNA)
where:
Base-Base interactions energy: -17.901
where: short stacking energy: -15.947
Base-Backbone interact. energy: -0.142
local terms energy: -29.066469
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -47.443489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.443489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.443489 (E_RNA)
where:
Base-Base interactions energy: -22.903
where: short stacking energy: -22.903
Base-Backbone interact. energy: -0.511
local terms energy: -24.029607
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.923
flat angles P-C4'-P energy: -1.191
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -45.265910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.265910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.265910 (E_RNA)
where:
Base-Base interactions energy: -19.387
where: short stacking energy: -19.387
Base-Backbone interact. energy: -0.000
local terms energy: -25.878964
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -52.467036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.467036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.467036 (E_RNA)
where:
Base-Base interactions energy: -22.680
where: short stacking energy: -22.680
Base-Backbone interact. energy: -0.000
local terms energy: -29.786689
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -5.811
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -40.993095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.993095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.993095 (E_RNA)
where:
Base-Base interactions energy: -13.924
where: short stacking energy: -13.924
Base-Backbone interact. energy: -0.128
local terms energy: -26.941433
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -7.133
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -38.529010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.529010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.529010 (E_RNA)
where:
Base-Base interactions energy: -14.522
where: short stacking energy: -14.522
Base-Backbone interact. energy: 0.433
local terms energy: -24.439977
where:
bonds (distance) C4'-P energy: -3.703
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -40.162410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.162410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.162410 (E_RNA)
where:
Base-Base interactions energy: -15.029
where: short stacking energy: -12.877
Base-Backbone interact. energy: -0.004
local terms energy: -25.130103
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -1.550
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -34.414772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.414772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.414772 (E_RNA)
where:
Base-Base interactions energy: -12.712
where: short stacking energy: -12.712
Base-Backbone interact. energy: -0.001
local terms energy: -21.701519
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -3.077
flat angles P-C4'-P energy: -3.716
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: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -28.806246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.806246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.806246 (E_RNA)
where:
Base-Base interactions energy: -5.842
where: short stacking energy: -5.842
Base-Backbone interact. energy: -0.078
local terms energy: -22.886843
where:
bonds (distance) C4'-P energy: -2.068
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -5.443
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: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -55.475114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.475114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.475114 (E_RNA)
where:
Base-Base interactions energy: -24.243
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.000
local terms energy: -31.232043
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -46.297830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.297830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.297830 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -16.007
Base-Backbone interact. energy: -0.036
local terms energy: -25.159684
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.658
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -49.304983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.304983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.304983 (E_RNA)
where:
Base-Base interactions energy: -24.797
where: short stacking energy: -21.723
Base-Backbone interact. energy: -0.000
local terms energy: -24.507139
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -3.069
flat angles C4'-P-C4' energy: -5.823
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -44.914599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.914599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.914599 (E_RNA)
where:
Base-Base interactions energy: -19.068
where: short stacking energy: -15.992
Base-Backbone interact. energy: -0.067
local terms energy: -25.780162
where:
bonds (distance) C4'-P energy: -5.377
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.721
flat angles P-C4'-P energy: -1.526
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -38.885031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.885031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.885031 (E_RNA)
where:
Base-Base interactions energy: -18.057
where: short stacking energy: -18.057
Base-Backbone interact. energy: -0.072
local terms energy: -20.755419
where:
bonds (distance) C4'-P energy: -4.534
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -3.626
flat angles P-C4'-P energy: -1.944
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -40.688622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.688622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.688622 (E_RNA)
where:
Base-Base interactions energy: -13.059
where: short stacking energy: -13.059
Base-Backbone interact. energy: -0.040
local terms energy: -27.589400
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -43.072479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.072479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.072479 (E_RNA)
where:
Base-Base interactions energy: -17.333
where: short stacking energy: -17.333
Base-Backbone interact. energy: -0.001
local terms energy: -25.738778
where:
bonds (distance) C4'-P energy: -2.677
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -4.876
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: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -37.075663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.075663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.075663 (E_RNA)
where:
Base-Base interactions energy: -16.260
where: short stacking energy: -11.744
Base-Backbone interact. energy: -0.021
local terms energy: -20.795067
where:
bonds (distance) C4'-P energy: -3.948
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -1.366
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -36.934592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.934592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.934592 (E_RNA)
where:
Base-Base interactions energy: -14.450
where: short stacking energy: -12.309
Base-Backbone interact. energy: -0.006
local terms energy: -22.479380
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -1.476
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: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -33.546904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.546904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.546904 (E_RNA)
where:
Base-Base interactions energy: -11.853
where: short stacking energy: -11.853
Base-Backbone interact. energy: -0.001
local terms energy: -21.693313
where:
bonds (distance) C4'-P energy: -6.188
bonds (distance) P-C4' energy: -5.790
flat angles C4'-P-C4' energy: -4.174
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -50.729911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.729911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.729911 (E_RNA)
where:
Base-Base interactions energy: -23.852
where: short stacking energy: -23.852
Base-Backbone interact. energy: -0.004
local terms energy: -26.874603
where:
bonds (distance) C4'-P energy: -6.631
bonds (distance) P-C4' energy: -5.035
flat angles C4'-P-C4' energy: -2.088
flat angles P-C4'-P energy: -4.418
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: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -44.024403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.024403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.024403 (E_RNA)
where:
Base-Base interactions energy: -16.688
where: short stacking energy: -16.688
Base-Backbone interact. energy: -0.008
local terms energy: -27.328884
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -4.309
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -53.999459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.999459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.999459 (E_RNA)
where:
Base-Base interactions energy: -23.345
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.000
local terms energy: -30.653992
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -46.705787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.705787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.705787 (E_RNA)
where:
Base-Base interactions energy: -24.243
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.001
local terms energy: -22.462294
where:
bonds (distance) C4'-P energy: -4.669
bonds (distance) P-C4' energy: -4.986
flat angles C4'-P-C4' energy: -4.740
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -39.814669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.814669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.814669 (E_RNA)
where:
Base-Base interactions energy: -12.114
where: short stacking energy: -12.114
Base-Backbone interact. energy: -0.082
local terms energy: -27.618440
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -3.098
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -42.667990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.667990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.667990 (E_RNA)
where:
Base-Base interactions energy: -17.809
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.000
local terms energy: -24.858223
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -1.237
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -40.819304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.819304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.819304 (E_RNA)
where:
Base-Base interactions energy: -15.965
where: short stacking energy: -15.965
Base-Backbone interact. energy: -0.000
local terms energy: -24.854086
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -35.663020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.663020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.663020 (E_RNA)
where:
Base-Base interactions energy: -16.271
where: short stacking energy: -14.776
Base-Backbone interact. energy: -0.206
local terms energy: -19.186095
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -44.443317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.443317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.443317 (E_RNA)
where:
Base-Base interactions energy: -18.601
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.000
local terms energy: -25.842702
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -0.843
tors. eta vs tors. theta energy: -6.599
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -33.379746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.379746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.379746 (E_RNA)
where:
Base-Base interactions energy: -14.986
where: short stacking energy: -14.986
Base-Backbone interact. energy: -0.100
local terms energy: -18.293616
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -5.044
flat angles C4'-P-C4' energy: -2.133
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -3.175
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: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -44.754443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.754443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.754443 (E_RNA)
where:
Base-Base interactions energy: -17.771
where: short stacking energy: -17.771
Base-Backbone interact. energy: -0.001
local terms energy: -26.982605
where:
bonds (distance) C4'-P energy: -3.364
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -5.601
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: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -59.626282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.626282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.626282 (E_RNA)
where:
Base-Base interactions energy: -26.980
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.000
local terms energy: -32.646153
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.990
flat angles P-C4'-P energy: -2.805
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: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -53.804158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.804158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.804158 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -25.035
Base-Backbone interact. energy: -0.000
local terms energy: -28.769371
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -48.206147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.206147 (E_RNA)
where:
Base-Base interactions energy: -20.044
where: short stacking energy: -20.044
Base-Backbone interact. energy: -0.000
local terms energy: -28.162316
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -43.768511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.768511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.768511 (E_RNA)
where:
Base-Base interactions energy: -16.921
where: short stacking energy: -16.921
Base-Backbone interact. energy: -0.003
local terms energy: -26.844826
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -39.954459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.954459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.954459 (E_RNA)
where:
Base-Base interactions energy: -15.721
where: short stacking energy: -15.721
Base-Backbone interact. energy: -0.000
local terms energy: -24.233348
where:
bonds (distance) C4'-P energy: -4.714
bonds (distance) P-C4' energy: -6.339
flat angles C4'-P-C4' energy: -3.891
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -48.820482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.820482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.820482 (E_RNA)
where:
Base-Base interactions energy: -20.036
where: short stacking energy: -20.036
Base-Backbone interact. energy: -0.000
local terms energy: -28.784824
where:
bonds (distance) C4'-P energy: -5.691
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -46.047835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.047835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.047835 (E_RNA)
where:
Base-Base interactions energy: -19.903
where: short stacking energy: -19.903
Base-Backbone interact. energy: -0.004
local terms energy: -26.140690
where:
bonds (distance) C4'-P energy: -3.793
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -36.114578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.114578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.114578 (E_RNA)
where:
Base-Base interactions energy: -10.514
where: short stacking energy: -8.213
Base-Backbone interact. energy: -0.609
local terms energy: -24.992236
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.590
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -31.423937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.423937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.423937 (E_RNA)
where:
Base-Base interactions energy: -8.819
where: short stacking energy: -8.819
Base-Backbone interact. energy: -0.007
local terms energy: -22.597528
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -50.755410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.755410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.755410 (E_RNA)
where:
Base-Base interactions energy: -19.514
where: short stacking energy: -19.514
Base-Backbone interact. energy: -0.001
local terms energy: -31.240534
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -53.611951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.611951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.611951 (E_RNA)
where:
Base-Base interactions energy: -25.633
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.000
local terms energy: -27.979005
where:
bonds (distance) C4'-P energy: -4.948
bonds (distance) P-C4' energy: -5.459
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -2.943
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -52.549038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.549038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.549038 (E_RNA)
where:
Base-Base interactions energy: -23.525
where: short stacking energy: -23.525
Base-Backbone interact. energy: -0.000
local terms energy: -29.023852
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -3.519
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -51.586843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.586843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.586843 (E_RNA)
where:
Base-Base interactions energy: -22.154
where: short stacking energy: -22.154
Base-Backbone interact. energy: -0.000
local terms energy: -29.433091
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -5.197
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -37.426079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.426079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.426079 (E_RNA)
where:
Base-Base interactions energy: -13.409
where: short stacking energy: -13.409
Base-Backbone interact. energy: -0.000
local terms energy: -24.017022
where:
bonds (distance) C4'-P energy: -4.486
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -5.332
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: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -39.010808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.010808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.010808 (E_RNA)
where:
Base-Base interactions energy: -16.193
where: short stacking energy: -16.193
Base-Backbone interact. energy: 0.285
local terms energy: -23.103187
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -36.671482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.671482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.671482 (E_RNA)
where:
Base-Base interactions energy: -11.391
where: short stacking energy: -11.391
Base-Backbone interact. energy: -0.002
local terms energy: -25.277632
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -38.432345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.432345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.432345 (E_RNA)
where:
Base-Base interactions energy: -11.843
where: short stacking energy: -11.843
Base-Backbone interact. energy: -0.000
local terms energy: -26.589214
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -3.779
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: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -35.561167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.561167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.561167 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.056
local terms energy: -23.157540
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -1.343
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -33.272295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.272295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.272295 (E_RNA)
where:
Base-Base interactions energy: -14.628
where: short stacking energy: -12.462
Base-Backbone interact. energy: -0.007
local terms energy: -18.637524
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -4.505
flat angles C4'-P-C4' energy: -2.482
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -57.510166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.510166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.510166 (E_RNA)
where:
Base-Base interactions energy: -24.934
where: short stacking energy: -24.934
Base-Backbone interact. energy: -0.000
local terms energy: -32.576523
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -53.565467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.565467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.565467 (E_RNA)
where:
Base-Base interactions energy: -22.954
where: short stacking energy: -22.954
Base-Backbone interact. energy: -0.000
local terms energy: -30.611273
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -46.027475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.027475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.027475 (E_RNA)
where:
Base-Base interactions energy: -19.636
where: short stacking energy: -19.636
Base-Backbone interact. energy: -0.000
local terms energy: -26.391078
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -4.705
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -46.155505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.155505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.155505 (E_RNA)
where:
Base-Base interactions energy: -19.436
where: short stacking energy: -19.436
Base-Backbone interact. energy: -0.006
local terms energy: -26.713498
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.008
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -41.240234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.240234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.240234 (E_RNA)
where:
Base-Base interactions energy: -13.784
where: short stacking energy: -13.784
Base-Backbone interact. energy: -1.169
local terms energy: -26.287076
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -4.050
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: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -41.421871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.421871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.421871 (E_RNA)
where:
Base-Base interactions energy: -16.884
where: short stacking energy: -16.884
Base-Backbone interact. energy: -0.000
local terms energy: -24.537728
where:
bonds (distance) C4'-P energy: -4.800
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.412
flat angles P-C4'-P energy: -2.802
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -42.893019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.893019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.893019 (E_RNA)
where:
Base-Base interactions energy: -18.300
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.000
local terms energy: -24.592881
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -3.495
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -38.251816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.251816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.251816 (E_RNA)
where:
Base-Base interactions energy: -12.739
where: short stacking energy: -11.925
Base-Backbone interact. energy: -0.000
local terms energy: -25.513097
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -0.797
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: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -34.066721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.066721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.066721 (E_RNA)
where:
Base-Base interactions energy: -9.149
where: short stacking energy: -9.149
Base-Backbone interact. energy: -0.054
local terms energy: -24.863976
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -4.906
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -37.734933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.734933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.734933 (E_RNA)
where:
Base-Base interactions energy: -13.515
where: short stacking energy: -13.515
Base-Backbone interact. energy: -0.003
local terms energy: -24.216593
where:
bonds (distance) C4'-P energy: -4.067
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -4.605
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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -55.076064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.076064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.076064 (E_RNA)
where:
Base-Base interactions energy: -24.707
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.000
local terms energy: -30.368802
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -48.989647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.989647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.989647 (E_RNA)
where:
Base-Base interactions energy: -24.408
where: short stacking energy: -23.299
Base-Backbone interact. energy: -0.000
local terms energy: -24.581673
where:
bonds (distance) C4'-P energy: -4.449
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -2.082
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -6.932
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: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -45.328311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.328311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.328311 (E_RNA)
where:
Base-Base interactions energy: -16.477
where: short stacking energy: -16.477
Base-Backbone interact. energy: -0.018
local terms energy: -28.833332
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -42.890636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.890636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.890636 (E_RNA)
where:
Base-Base interactions energy: -17.915
where: short stacking energy: -17.915
Base-Backbone interact. energy: -0.016
local terms energy: -24.959666
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.707
flat angles P-C4'-P energy: -1.403
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -42.981581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.981581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.981581 (E_RNA)
where:
Base-Base interactions energy: -17.078
where: short stacking energy: -17.078
Base-Backbone interact. energy: -0.000
local terms energy: -25.903446
where:
bonds (distance) C4'-P energy: -4.426
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -4.073
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -44.979489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.979489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.979489 (E_RNA)
where:
Base-Base interactions energy: -21.939
where: short stacking energy: -21.939
Base-Backbone interact. energy: -0.000
local terms energy: -23.040745
where:
bonds (distance) C4'-P energy: -3.488
bonds (distance) P-C4' energy: -3.563
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -37.490703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.490703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.490703 (E_RNA)
where:
Base-Base interactions energy: -11.707
where: short stacking energy: -11.707
Base-Backbone interact. energy: -0.001
local terms energy: -25.783011
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -38.909732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.909732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.909732 (E_RNA)
where:
Base-Base interactions energy: -11.721
where: short stacking energy: -11.721
Base-Backbone interact. energy: -0.166
local terms energy: -27.022179
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -4.541
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -37.809479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.809479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.809479 (E_RNA)
where:
Base-Base interactions energy: -15.611
where: short stacking energy: -13.703
Base-Backbone interact. energy: -0.029
local terms energy: -22.169961
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -4.790
flat angles C4'-P-C4' energy: -2.192
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -33.775813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.775813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.775813 (E_RNA)
where:
Base-Base interactions energy: -9.678
where: short stacking energy: -9.678
Base-Backbone interact. energy: -0.526
local terms energy: -23.571935
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.675
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -51.394917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.394917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.394917 (E_RNA)
where:
Base-Base interactions energy: -24.551
where: short stacking energy: -24.551
Base-Backbone interact. energy: -0.001
local terms energy: -26.843221
where:
bonds (distance) C4'-P energy: -5.493
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.806
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -46.904707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.904707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.904707 (E_RNA)
where:
Base-Base interactions energy: -20.613
where: short stacking energy: -20.613
Base-Backbone interact. energy: -0.030
local terms energy: -26.261542
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -5.482
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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -45.394864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.394864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.394864 (E_RNA)
where:
Base-Base interactions energy: -16.791
where: short stacking energy: -16.791
Base-Backbone interact. energy: -0.011
local terms energy: -28.592811
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -4.676
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: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -40.644194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.644194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.644194 (E_RNA)
where:
Base-Base interactions energy: -18.801
where: short stacking energy: -18.801
Base-Backbone interact. energy: -0.000
local terms energy: -21.842777
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -6.195
flat angles P-C4'-P energy: -2.260
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: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -48.799785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.799785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.799785 (E_RNA)
where:
Base-Base interactions energy: -22.012
where: short stacking energy: -22.012
Base-Backbone interact. energy: -0.000
local terms energy: -26.787645
where:
bonds (distance) C4'-P energy: -4.867
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -3.466
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: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -38.335023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.335023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.335023 (E_RNA)
where:
Base-Base interactions energy: -13.207
where: short stacking energy: -13.207
Base-Backbone interact. energy: -0.002
local terms energy: -25.126503
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -37.369625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.369625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.369625 (E_RNA)
where:
Base-Base interactions energy: -13.967
where: short stacking energy: -11.962
Base-Backbone interact. energy: -0.009
local terms energy: -23.393705
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -6.551
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -3.841
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -34.687454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.687454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.687454 (E_RNA)
where:
Base-Base interactions energy: -11.340
where: short stacking energy: -10.166
Base-Backbone interact. energy: -0.993
local terms energy: -22.354720
where:
bonds (distance) C4'-P energy: -2.798
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -43.727548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.727548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.727548 (E_RNA)
where:
Base-Base interactions energy: -16.073
where: short stacking energy: -16.073
Base-Backbone interact. energy: -0.000
local terms energy: -27.655015
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.731
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -35.283582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.283582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.283582 (E_RNA)
where:
Base-Base interactions energy: -11.489
where: short stacking energy: -10.334
Base-Backbone interact. energy: -0.060
local terms energy: -23.734328
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -53.152881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.152881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.152881 (E_RNA)
where:
Base-Base interactions energy: -25.330
where: short stacking energy: -25.330
Base-Backbone interact. energy: -0.000
local terms energy: -27.823085
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -56.787456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.787456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.787456 (E_RNA)
where:
Base-Base interactions energy: -26.551
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.006
local terms energy: -30.230577
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -47.588182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.588182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.588182 (E_RNA)
where:
Base-Base interactions energy: -19.468
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.001
local terms energy: -28.119437
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -46.624224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.624224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.624224 (E_RNA)
where:
Base-Base interactions energy: -21.740
where: short stacking energy: -21.740
Base-Backbone interact. energy: -0.001
local terms energy: -24.883060
where:
bonds (distance) C4'-P energy: -4.738
bonds (distance) P-C4' energy: -5.504
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -42.671739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.671739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.671739 (E_RNA)
where:
Base-Base interactions energy: -16.821
where: short stacking energy: -16.821
Base-Backbone interact. energy: -0.004
local terms energy: -25.846658
where:
bonds (distance) C4'-P energy: -3.455
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -4.838
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -36.373344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.373344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.373344 (E_RNA)
where:
Base-Base interactions energy: -12.701
where: short stacking energy: -10.038
Base-Backbone interact. energy: -0.144
local terms energy: -23.528939
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -41.558078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.558078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.558078 (E_RNA)
where:
Base-Base interactions energy: -18.401
where: short stacking energy: -18.401
Base-Backbone interact. energy: -0.001
local terms energy: -23.156911
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -4.815
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -35.938613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.938613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.938613 (E_RNA)
where:
Base-Base interactions energy: -12.985
where: short stacking energy: -12.985
Base-Backbone interact. energy: -0.013
local terms energy: -22.941466
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -32.571549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.571549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.571549 (E_RNA)
where:
Base-Base interactions energy: -10.879
where: short stacking energy: -10.844
Base-Backbone interact. energy: -0.603
local terms energy: -21.089673
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -4.232
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -37.938585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.938585 (E_RNA)
where:
Base-Base interactions energy: -13.719
where: short stacking energy: -13.719
Base-Backbone interact. energy: -0.000
local terms energy: -24.219431
where:
bonds (distance) C4'-P energy: -4.478
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -52.709974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.709974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.709974 (E_RNA)
where:
Base-Base interactions energy: -21.444
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.001
local terms energy: -31.264685
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -59.308404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.308404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.308404 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -27.574
Base-Backbone interact. energy: -0.000
local terms energy: -31.734363
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -48.371001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.371001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.371001 (E_RNA)
where:
Base-Base interactions energy: -19.709
where: short stacking energy: -19.709
Base-Backbone interact. energy: -0.002
local terms energy: -28.660021
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -5.185
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -5.083
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: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -44.037707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.037707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.037707 (E_RNA)
where:
Base-Base interactions energy: -19.518
where: short stacking energy: -15.948
Base-Backbone interact. energy: -0.099
local terms energy: -24.421060
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -52.051862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.051862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.051862 (E_RNA)
where:
Base-Base interactions energy: -23.336
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.000
local terms energy: -28.715873
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -42.366370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.366370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.366370 (E_RNA)
where:
Base-Base interactions energy: -19.053
where: short stacking energy: -14.100
Base-Backbone interact. energy: 0.413
local terms energy: -23.726588
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -4.709
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: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -36.295800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.295800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.295800 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -14.234
Base-Backbone interact. energy: -0.111
local terms energy: -21.951271
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -36.245945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.245945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.245945 (E_RNA)
where:
Base-Base interactions energy: -18.765
where: short stacking energy: -15.357
Base-Backbone interact. energy: -0.064
local terms energy: -17.417000
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: 0.568
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -39.814923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.814923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.814923 (E_RNA)
where:
Base-Base interactions energy: -12.006
where: short stacking energy: -12.006
Base-Backbone interact. energy: -0.078
local terms energy: -27.730976
where:
bonds (distance) C4'-P energy: -5.103
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.160
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -32.194817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.194817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.194817 (E_RNA)
where:
Base-Base interactions energy: -11.952
where: short stacking energy: -11.952
Base-Backbone interact. energy: -0.049
local terms energy: -20.193702
where:
bonds (distance) C4'-P energy: -5.023
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -5.842
flat angles P-C4'-P energy: -2.390
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: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -57.014313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.014313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.014313 (E_RNA)
where:
Base-Base interactions energy: -26.383
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.000
local terms energy: -30.631387
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.438
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -8.151
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: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -44.379217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.379217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.379217 (E_RNA)
where:
Base-Base interactions energy: -19.050
where: short stacking energy: -19.050
Base-Backbone interact. energy: -0.252
local terms energy: -25.076936
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -2.106
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -43.513619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.513619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.513619 (E_RNA)
where:
Base-Base interactions energy: -19.541
where: short stacking energy: -19.541
Base-Backbone interact. energy: -0.008
local terms energy: -23.964507
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -1.052
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: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -41.870807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.870807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.870807 (E_RNA)
where:
Base-Base interactions energy: -17.538
where: short stacking energy: -17.538
Base-Backbone interact. energy: -0.000
local terms energy: -24.332437
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.401
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -41.536052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.536052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.536052 (E_RNA)
where:
Base-Base interactions energy: -16.687
where: short stacking energy: -16.687
Base-Backbone interact. energy: -0.004
local terms energy: -24.845209
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: -4.132
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: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -39.132871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.132871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.132871 (E_RNA)
where:
Base-Base interactions energy: -14.892
where: short stacking energy: -14.674
Base-Backbone interact. energy: -0.001
local terms energy: -24.239916
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -4.698
flat angles C4'-P-C4' energy: -4.310
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -38.751310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.751310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.751310 (E_RNA)
where:
Base-Base interactions energy: -14.458
where: short stacking energy: -11.202
Base-Backbone interact. energy: -0.129
local terms energy: -24.163911
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -4.935
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -37.705330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.705330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.705330 (E_RNA)
where:
Base-Base interactions energy: -13.001
where: short stacking energy: -11.459
Base-Backbone interact. energy: -0.071
local terms energy: -24.633134
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -38.621068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.621068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.621068 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -13.714
Base-Backbone interact. energy: -0.702
local terms energy: -22.807405
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -4.174
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -28.262025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.262025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.262025 (E_RNA)
where:
Base-Base interactions energy: -11.351
where: short stacking energy: -11.068
Base-Backbone interact. energy: 0.890
local terms energy: -17.801262
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.301
flat angles P-C4'-P energy: -0.931
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -53.391896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.391896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.391896 (E_RNA)
where:
Base-Base interactions energy: -24.673
where: short stacking energy: -24.673
Base-Backbone interact. energy: -0.000
local terms energy: -28.718933
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -3.538
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -50.670066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.670066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.670066 (E_RNA)
where:
Base-Base interactions energy: -21.262
where: short stacking energy: -21.262
Base-Backbone interact. energy: -0.001
local terms energy: -29.407008
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -4.953
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: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -47.187744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.187744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.187744 (E_RNA)
where:
Base-Base interactions energy: -20.573
where: short stacking energy: -20.573
Base-Backbone interact. energy: 0.190
local terms energy: -26.804882
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -41.604661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.604661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.604661 (E_RNA)
where:
Base-Base interactions energy: -12.506
where: short stacking energy: -12.506
Base-Backbone interact. energy: -0.000
local terms energy: -29.098308
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -3.675
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -38.350149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.350149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.350149 (E_RNA)
where:
Base-Base interactions energy: -14.690
where: short stacking energy: -14.690
Base-Backbone interact. energy: -0.375
local terms energy: -23.284412
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -3.765
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: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -38.612377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.612377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.612377 (E_RNA)
where:
Base-Base interactions energy: -11.673
where: short stacking energy: -11.345
Base-Backbone interact. energy: -0.000
local terms energy: -26.938981
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -39.513856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.513856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.513856 (E_RNA)
where:
Base-Base interactions energy: -14.645
where: short stacking energy: -12.242
Base-Backbone interact. energy: -0.074
local terms energy: -24.794161
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -3.810
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -2.896
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -41.538174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.538174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.538174 (E_RNA)
where:
Base-Base interactions energy: -15.270
where: short stacking energy: -14.354
Base-Backbone interact. energy: -0.005
local terms energy: -26.263067
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -38.686286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.686286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.686286 (E_RNA)
where:
Base-Base interactions energy: -13.733
where: short stacking energy: -13.733
Base-Backbone interact. energy: -0.003
local terms energy: -24.950779
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -1.980
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: 197
Temperature: 1.350000
Total energy: -33.855715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.855715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.855715 (E_RNA)
where:
Base-Base interactions energy: -11.696
where: short stacking energy: -11.696
Base-Backbone interact. energy: -0.073
local terms energy: -22.086177
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -4.722
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -50.684548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.684548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.684548 (E_RNA)
where:
Base-Base interactions energy: -18.268
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.000
local terms energy: -32.416826
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -55.666562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.666562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.666562 (E_RNA)
where:
Base-Base interactions energy: -26.043
where: short stacking energy: -24.449
Base-Backbone interact. energy: -0.519
local terms energy: -29.104429
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -6.742
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: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -45.965375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.965375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.965375 (E_RNA)
where:
Base-Base interactions energy: -20.788
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.002
local terms energy: -25.174883
where:
bonds (distance) C4'-P energy: -4.482
bonds (distance) P-C4' energy: -4.036
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -5.422
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: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -41.327020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.327020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.327020 (E_RNA)
where:
Base-Base interactions energy: -15.455
where: short stacking energy: -15.455
Base-Backbone interact. energy: -0.000
local terms energy: -25.871576
where:
bonds (distance) C4'-P energy: -4.076
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.674
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -48.663530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.663530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.663530 (E_RNA)
where:
Base-Base interactions energy: -21.491
where: short stacking energy: -21.491
Base-Backbone interact. energy: -0.000
local terms energy: -27.172320
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -38.162917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.162917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.162917 (E_RNA)
where:
Base-Base interactions energy: -17.697
where: short stacking energy: -14.822
Base-Backbone interact. energy: -0.036
local terms energy: -20.429130
where:
bonds (distance) C4'-P energy: -1.844
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -45.963205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.963205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.963205 (E_RNA)
where:
Base-Base interactions energy: -22.252
where: short stacking energy: -21.798
Base-Backbone interact. energy: 0.203
local terms energy: -23.914232
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.929
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -37.731512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.731512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.731512 (E_RNA)
where:
Base-Base interactions energy: -14.701
where: short stacking energy: -14.701
Base-Backbone interact. energy: -0.025
local terms energy: -23.005900
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -0.328
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -39.729094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.729094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.729094 (E_RNA)
where:
Base-Base interactions energy: -13.855
where: short stacking energy: -13.310
Base-Backbone interact. energy: 0.285
local terms energy: -26.159149
where:
bonds (distance) C4'-P energy: -4.706
bonds (distance) P-C4' energy: -3.050
flat angles C4'-P-C4' energy: -7.626
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -36.080683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.080683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.080683 (E_RNA)
where:
Base-Base interactions energy: -14.445
where: short stacking energy: -14.445
Base-Backbone interact. energy: -0.001
local terms energy: -21.635205
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -0.931
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: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -52.952827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.952827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.952827 (E_RNA)
where:
Base-Base interactions energy: -24.971
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.020
local terms energy: -27.961794
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -46.607587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.607587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.607587 (E_RNA)
where:
Base-Base interactions energy: -23.258
where: short stacking energy: -15.647
Base-Backbone interact. energy: -0.093
local terms energy: -23.256595
where:
bonds (distance) C4'-P energy: -5.731
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -42.851833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.851833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.851833 (E_RNA)
where:
Base-Base interactions energy: -17.610
where: short stacking energy: -16.333
Base-Backbone interact. energy: -0.089
local terms energy: -25.153059
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -47.888166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.888166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.888166 (E_RNA)
where:
Base-Base interactions energy: -19.274
where: short stacking energy: -19.274
Base-Backbone interact. energy: -0.005
local terms energy: -28.609640
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -5.693
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: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -44.469237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.469237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.469237 (E_RNA)
where:
Base-Base interactions energy: -19.643
where: short stacking energy: -18.455
Base-Backbone interact. energy: -0.000
local terms energy: -24.826443
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -4.652
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -37.786192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.786192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.786192 (E_RNA)
where:
Base-Base interactions energy: -13.974
where: short stacking energy: -13.486
Base-Backbone interact. energy: -0.012
local terms energy: -23.800595
where:
bonds (distance) C4'-P energy: -4.147
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -34.601609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.601609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.601609 (E_RNA)
where:
Base-Base interactions energy: -13.511
where: short stacking energy: -13.511
Base-Backbone interact. energy: -0.079
local terms energy: -21.011297
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -3.768
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -32.307757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.307757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.307757 (E_RNA)
where:
Base-Base interactions energy: -10.316
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.049
local terms energy: -21.943051
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -3.491
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -34.589875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.589875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.589875 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.345
local terms energy: -21.598437
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -1.486
tors. eta vs tors. theta energy: -2.278
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: 199
Temperature: 1.350000
Total energy: -31.132432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.132432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.132432 (E_RNA)
where:
Base-Base interactions energy: -7.228
where: short stacking energy: -7.228
Base-Backbone interact. energy: -0.054
local terms energy: -23.850588
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -3.824
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: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -57.090563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.090563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.090563 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.000
local terms energy: -29.863703
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -51.938320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.938320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.938320 (E_RNA)
where:
Base-Base interactions energy: -21.851
where: short stacking energy: -19.075
Base-Backbone interact. energy: -0.000
local terms energy: -30.086853
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -6.015
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: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -41.165333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.165333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.165333 (E_RNA)
where:
Base-Base interactions energy: -17.104
where: short stacking energy: -17.104
Base-Backbone interact. energy: -0.086
local terms energy: -23.975707
where:
bonds (distance) C4'-P energy: -3.168
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -46.627539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.627539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.627539 (E_RNA)
where:
Base-Base interactions energy: -18.385
where: short stacking energy: -18.385
Base-Backbone interact. energy: -0.017
local terms energy: -28.225739
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -4.902
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: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -42.799742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.799742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.799742 (E_RNA)
where:
Base-Base interactions energy: -16.036
where: short stacking energy: -13.685
Base-Backbone interact. energy: -0.021
local terms energy: -26.742634
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.023
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -50.207677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.207677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.207677 (E_RNA)
where:
Base-Base interactions energy: -21.791
where: short stacking energy: -21.791
Base-Backbone interact. energy: -0.000
local terms energy: -28.416575
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.876
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -3.747
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: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -38.308867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.308867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.308867 (E_RNA)
where:
Base-Base interactions energy: -13.344
where: short stacking energy: -13.344
Base-Backbone interact. energy: -0.000
local terms energy: -24.964549
where:
bonds (distance) C4'-P energy: -3.500
bonds (distance) P-C4' energy: -6.544
flat angles C4'-P-C4' energy: -6.268
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -40.796972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.796972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.796972 (E_RNA)
where:
Base-Base interactions energy: -14.149
where: short stacking energy: -13.829
Base-Backbone interact. energy: -0.000
local terms energy: -26.648237
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -3.443
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: 200
Temperature: 1.300000
Total energy: -38.856699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.856699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.856699 (E_RNA)
where:
Base-Base interactions energy: -11.602
where: short stacking energy: -11.602
Base-Backbone interact. energy: 0.334
local terms energy: -27.587894
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -4.694
flat angles C4'-P-C4' energy: -5.984
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -34.250179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.250179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.250179 (E_RNA)
where:
Base-Base interactions energy: -11.931
where: short stacking energy: -11.931
Base-Backbone interact. energy: -0.027
local terms energy: -22.292385
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -1.548
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -57.429889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.429889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.429889 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.000
local terms energy: -30.029395
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -54.297772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.297772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.297772 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.000
local terms energy: -29.321754
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -4.876
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: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -48.133662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.133662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.133662 (E_RNA)
where:
Base-Base interactions energy: -15.679
where: short stacking energy: -15.679
Base-Backbone interact. energy: -0.000
local terms energy: -32.454181
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -45.962710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.962710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.962710 (E_RNA)
where:
Base-Base interactions energy: -20.965
where: short stacking energy: -20.965
Base-Backbone interact. energy: -0.129
local terms energy: -24.868898
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -47.137436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.137436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.137436 (E_RNA)
where:
Base-Base interactions energy: -21.704
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.000
local terms energy: -25.432771
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -5.976
flat angles C4'-P-C4' energy: -4.690
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -36.042484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.042484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.042484 (E_RNA)
where:
Base-Base interactions energy: -12.025
where: short stacking energy: -8.437
Base-Backbone interact. energy: -0.021
local terms energy: -23.995950
where:
bonds (distance) C4'-P energy: -5.483
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -40.351065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.351065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.351065 (E_RNA)
where:
Base-Base interactions energy: -18.766
where: short stacking energy: -18.766
Base-Backbone interact. energy: -0.000
local terms energy: -21.584221
where:
bonds (distance) C4'-P energy: -2.828
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -4.488
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -34.675753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.675753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.675753 (E_RNA)
where:
Base-Base interactions energy: -10.598
where: short stacking energy: -10.598
Base-Backbone interact. energy: -0.093
local terms energy: -23.985106
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: 0.014
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: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -34.613153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.613153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.613153 (E_RNA)
where:
Base-Base interactions energy: -12.799
where: short stacking energy: -10.852
Base-Backbone interact. energy: -0.000
local terms energy: -21.813852
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -4.537
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -34.145422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.145422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.145422 (E_RNA)
where:
Base-Base interactions energy: -9.880
where: short stacking energy: -9.880
Base-Backbone interact. energy: -0.071
local terms energy: -24.194615
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -4.645
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: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -49.228461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.228461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.228461 (E_RNA)
where:
Base-Base interactions energy: -20.713
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.000
local terms energy: -28.515406
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -4.983
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: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -51.172448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.172448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.172448 (E_RNA)
where:
Base-Base interactions energy: -25.576
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.001
local terms energy: -25.595743
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -5.634
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: 202
Temperature: 1.000000
Total energy: -47.002090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.002090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.002090 (E_RNA)
where:
Base-Base interactions energy: -17.262
where: short stacking energy: -17.262
Base-Backbone interact. energy: -0.063
local terms energy: -29.677142
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -4.457
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -39.644089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.644089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.644089 (E_RNA)
where:
Base-Base interactions energy: -12.091
where: short stacking energy: -12.091
Base-Backbone interact. energy: -0.070
local terms energy: -27.482223
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -4.735
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: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -46.601411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.601411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.601411 (E_RNA)
where:
Base-Base interactions energy: -21.239
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.005
local terms energy: -25.357681
where:
bonds (distance) C4'-P energy: -2.584
bonds (distance) P-C4' energy: -4.775
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -35.488239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.488239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.488239 (E_RNA)
where:
Base-Base interactions energy: -14.849
where: short stacking energy: -14.849
Base-Backbone interact. energy: -0.004
local terms energy: -20.635636
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -4.638
flat angles P-C4'-P energy: 0.804
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: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -38.172521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.172521 (E_RNA)
where:
Base-Base interactions energy: -12.566
where: short stacking energy: -12.566
Base-Backbone interact. energy: -0.100
local terms energy: -25.506811
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -36.916009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.916009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.916009 (E_RNA)
where:
Base-Base interactions energy: -14.283
where: short stacking energy: -14.283
Base-Backbone interact. energy: -0.094
local terms energy: -22.539058
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -3.362
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -30.234214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.234214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.234214 (E_RNA)
where:
Base-Base interactions energy: -11.720
where: short stacking energy: -11.720
Base-Backbone interact. energy: -0.000
local terms energy: -18.514506
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -5.768
flat angles C4'-P-C4' energy: -3.121
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -30.158732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.158732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.158732 (E_RNA)
where:
Base-Base interactions energy: -12.196
where: short stacking energy: -12.196
Base-Backbone interact. energy: -0.020
local terms energy: -17.942266
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -0.251
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -53.938749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.938749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.938749 (E_RNA)
where:
Base-Base interactions energy: -23.705
where: short stacking energy: -23.705
Base-Backbone interact. energy: -0.000
local terms energy: -30.233588
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -46.479929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.479929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.479929 (E_RNA)
where:
Base-Base interactions energy: -22.167
where: short stacking energy: -22.167
Base-Backbone interact. energy: -0.002
local terms energy: -24.311065
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -4.486
flat angles C4'-P-C4' energy: -6.509
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -46.462310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.462310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.462310 (E_RNA)
where:
Base-Base interactions energy: -19.393
where: short stacking energy: -19.393
Base-Backbone interact. energy: -0.000
local terms energy: -27.069349
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -45.762793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.762793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.762793 (E_RNA)
where:
Base-Base interactions energy: -18.515
where: short stacking energy: -18.515
Base-Backbone interact. energy: -0.001
local terms energy: -27.246472
where:
bonds (distance) C4'-P energy: -4.325
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.189
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -43.775689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.775689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.775689 (E_RNA)
where:
Base-Base interactions energy: -20.157
where: short stacking energy: -20.157
Base-Backbone interact. energy: -0.031
local terms energy: -23.587702
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -3.713
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -44.479749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.479749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.479749 (E_RNA)
where:
Base-Base interactions energy: -17.964
where: short stacking energy: -17.964
Base-Backbone interact. energy: -0.005
local terms energy: -26.510576
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -3.535
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: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -38.422530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.422530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.422530 (E_RNA)
where:
Base-Base interactions energy: -11.789
where: short stacking energy: -11.789
Base-Backbone interact. energy: -0.011
local terms energy: -26.622019
where:
bonds (distance) C4'-P energy: -4.734
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -4.054
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: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -41.062632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.062632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.062632 (E_RNA)
where:
Base-Base interactions energy: -15.396
where: short stacking energy: -15.396
Base-Backbone interact. energy: -0.001
local terms energy: -25.665918
where:
bonds (distance) C4'-P energy: -4.916
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -4.229
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: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -37.471827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.471827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.471827 (E_RNA)
where:
Base-Base interactions energy: -10.453
where: short stacking energy: -10.453
Base-Backbone interact. energy: -0.059
local terms energy: -26.959410
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -3.996
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: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -30.966520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.966520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.966520 (E_RNA)
where:
Base-Base interactions energy: -8.499
where: short stacking energy: -6.859
Base-Backbone interact. energy: -0.142
local terms energy: -22.325894
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -50.576139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.576139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.576139 (E_RNA)
where:
Base-Base interactions energy: -23.028
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.000
local terms energy: -27.547794
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.905
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -56.558593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.558593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.558593 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -26.500
Base-Backbone interact. energy: -0.000
local terms energy: -30.058969
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -44.896611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.896611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.896611 (E_RNA)
where:
Base-Base interactions energy: -18.160
where: short stacking energy: -12.232
Base-Backbone interact. energy: -1.150
local terms energy: -25.585784
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -5.824
flat angles P-C4'-P energy: -1.126
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: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -43.146547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.146547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.146547 (E_RNA)
where:
Base-Base interactions energy: -16.973
where: short stacking energy: -16.973
Base-Backbone interact. energy: -0.029
local terms energy: -26.144311
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -4.427
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -46.089874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.089874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.089874 (E_RNA)
where:
Base-Base interactions energy: -19.159
where: short stacking energy: -19.159
Base-Backbone interact. energy: -0.000
local terms energy: -26.930473
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -43.541534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.541534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.541534 (E_RNA)
where:
Base-Base interactions energy: -18.915
where: short stacking energy: -17.761
Base-Backbone interact. energy: -0.009
local terms energy: -24.617895
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -5.814
flat angles C4'-P-C4' energy: -5.344
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -42.678036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.678036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.678036 (E_RNA)
where:
Base-Base interactions energy: -19.639
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.002
local terms energy: -23.037357
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -2.725
flat angles P-C4'-P energy: -3.857
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: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -44.090558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.090558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.090558 (E_RNA)
where:
Base-Base interactions energy: -18.743
where: short stacking energy: -18.743
Base-Backbone interact. energy: 0.928
local terms energy: -26.275944
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -38.639976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.639976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.639976 (E_RNA)
where:
Base-Base interactions energy: -15.214
where: short stacking energy: -14.104
Base-Backbone interact. energy: -0.014
local terms energy: -23.412736
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -4.117
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -34.232097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.232097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.232097 (E_RNA)
where:
Base-Base interactions energy: -12.666
where: short stacking energy: -10.916
Base-Backbone interact. energy: 0.793
local terms energy: -22.359574
where:
bonds (distance) C4'-P energy: -5.139
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -53.491967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.491967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.491967 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -23.242
Base-Backbone interact. energy: -0.019
local terms energy: -30.231929
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -46.653188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.653188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.653188 (E_RNA)
where:
Base-Base interactions energy: -17.824
where: short stacking energy: -17.824
Base-Backbone interact. energy: -0.000
local terms energy: -28.828779
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -7.435
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -50.139459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.139459 (E_RNA)
where:
Base-Base interactions energy: -21.123
where: short stacking energy: -21.123
Base-Backbone interact. energy: -0.076
local terms energy: -28.940795
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -41.682508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.682508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.682508 (E_RNA)
where:
Base-Base interactions energy: -14.456
where: short stacking energy: -14.456
Base-Backbone interact. energy: -0.010
local terms energy: -27.216763
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.303
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -41.916713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.916713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.916713 (E_RNA)
where:
Base-Base interactions energy: -15.042
where: short stacking energy: -15.042
Base-Backbone interact. energy: -0.000
local terms energy: -26.874640
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -4.046
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: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -40.109507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.109507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.109507 (E_RNA)
where:
Base-Base interactions energy: -18.817
where: short stacking energy: -18.817
Base-Backbone interact. energy: -0.000
local terms energy: -21.292747
where:
bonds (distance) C4'-P energy: -4.365
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -36.987309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.987309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.987309 (E_RNA)
where:
Base-Base interactions energy: -12.645
where: short stacking energy: -9.579
Base-Backbone interact. energy: -0.133
local terms energy: -24.208911
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.155
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -40.104056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.104056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.104056 (E_RNA)
where:
Base-Base interactions energy: -15.388
where: short stacking energy: -15.388
Base-Backbone interact. energy: -0.000
local terms energy: -24.715809
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -3.723
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -38.936736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.936736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.936736 (E_RNA)
where:
Base-Base interactions energy: -16.159
where: short stacking energy: -16.159
Base-Backbone interact. energy: -0.001
local terms energy: -22.776172
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -32.522270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.522270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.522270 (E_RNA)
where:
Base-Base interactions energy: -11.451
where: short stacking energy: -11.451
Base-Backbone interact. energy: -0.082
local terms energy: -20.989187
where:
bonds (distance) C4'-P energy: -4.502
bonds (distance) P-C4' energy: -2.713
flat angles C4'-P-C4' energy: -5.682
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -51.698200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.698200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.698200 (E_RNA)
where:
Base-Base interactions energy: -26.756
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.000
local terms energy: -24.942419
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -4.811
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -1.880
tors. eta vs tors. theta energy: -7.418
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: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -54.296879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.296879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.296879 (E_RNA)
where:
Base-Base interactions energy: -23.888
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.000
local terms energy: -30.408554
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -5.978
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -50.244612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.244612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.244612 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -19.573
Base-Backbone interact. energy: -0.016
local terms energy: -30.655303
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -48.410894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.410894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.410894 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -19.573
Base-Backbone interact. energy: -0.079
local terms energy: -28.759157
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.753
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -43.450611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.450611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.450611 (E_RNA)
where:
Base-Base interactions energy: -15.488
where: short stacking energy: -15.488
Base-Backbone interact. energy: -0.005
local terms energy: -27.957324
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.731
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -39.289594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.289594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.289594 (E_RNA)
where:
Base-Base interactions energy: -14.409
where: short stacking energy: -13.501
Base-Backbone interact. energy: -0.016
local terms energy: -24.864924
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -43.607543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.607543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.607543 (E_RNA)
where:
Base-Base interactions energy: -18.065
where: short stacking energy: -18.165
Base-Backbone interact. energy: -0.102
local terms energy: -25.440170
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -5.082
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: 206
Temperature: 1.250000
Total energy: -37.706843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.706843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.706843 (E_RNA)
where:
Base-Base interactions energy: -10.559
where: short stacking energy: -10.559
Base-Backbone interact. energy: -0.114
local terms energy: -27.033989
where:
bonds (distance) C4'-P energy: -5.144
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -39.766349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.766349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.766349 (E_RNA)
where:
Base-Base interactions energy: -15.737
where: short stacking energy: -15.737
Base-Backbone interact. energy: -0.041
local terms energy: -23.987505
where:
bonds (distance) C4'-P energy: -4.437
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -4.621
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: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -34.040081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.040081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.040081 (E_RNA)
where:
Base-Base interactions energy: -10.684
where: short stacking energy: -10.009
Base-Backbone interact. energy: -0.063
local terms energy: -23.292839
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -56.119236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.119236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.119236 (E_RNA)
where:
Base-Base interactions energy: -26.342
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.000
local terms energy: -29.776833
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -44.536288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.536288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.536288 (E_RNA)
where:
Base-Base interactions energy: -16.058
where: short stacking energy: -16.058
Base-Backbone interact. energy: -0.000
local terms energy: -28.477857
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -4.544
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -47.448818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.448818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.448818 (E_RNA)
where:
Base-Base interactions energy: -21.912
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.000
local terms energy: -25.536289
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -2.152
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: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -42.064803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.064803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.064803 (E_RNA)
where:
Base-Base interactions energy: -16.343
where: short stacking energy: -16.343
Base-Backbone interact. energy: -0.001
local terms energy: -25.721319
where:
bonds (distance) C4'-P energy: -5.095
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -5.024
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -47.086183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.086183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.086183 (E_RNA)
where:
Base-Base interactions energy: -19.048
where: short stacking energy: -19.048
Base-Backbone interact. energy: -0.000
local terms energy: -28.037957
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -40.922747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.922747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.922747 (E_RNA)
where:
Base-Base interactions energy: -16.282
where: short stacking energy: -14.250
Base-Backbone interact. energy: -0.000
local terms energy: -24.639964
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -3.263
flat angles P-C4'-P energy: -2.804
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: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -44.908133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.908133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.908133 (E_RNA)
where:
Base-Base interactions energy: -21.305
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.040
local terms energy: -23.562960
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -2.039
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -30.783193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.783193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.783193 (E_RNA)
where:
Base-Base interactions energy: -9.832
where: short stacking energy: -9.358
Base-Backbone interact. energy: -0.161
local terms energy: -20.790551
where:
bonds (distance) C4'-P energy: -5.202
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -34.287053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.287053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.287053 (E_RNA)
where:
Base-Base interactions energy: -15.864
where: short stacking energy: -14.191
Base-Backbone interact. energy: -0.009
local terms energy: -18.413607
where:
bonds (distance) C4'-P energy: 0.204
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -3.768
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: 207
Temperature: 1.350000
Total energy: -31.004750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.004750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.004750 (E_RNA)
where:
Base-Base interactions energy: -11.307
where: short stacking energy: -11.307
Base-Backbone interact. energy: -0.003
local terms energy: -19.694429
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -55.733907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.733907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.733907 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.000
local terms energy: -25.992689
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -4.842
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -2.538
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: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -47.358180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.358180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.358180 (E_RNA)
where:
Base-Base interactions energy: -20.250
where: short stacking energy: -20.250
Base-Backbone interact. energy: -0.000
local terms energy: -27.107730
where:
bonds (distance) C4'-P energy: -5.387
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -57.877943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.877943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.877943 (E_RNA)
where:
Base-Base interactions energy: -28.846
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.000
local terms energy: -29.031418
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -45.997829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.997829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.997829 (E_RNA)
where:
Base-Base interactions energy: -16.250
where: short stacking energy: -16.250
Base-Backbone interact. energy: -0.184
local terms energy: -29.563521
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -40.505947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.505947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.505947 (E_RNA)
where:
Base-Base interactions energy: -17.027
where: short stacking energy: -16.675
Base-Backbone interact. energy: -0.000
local terms energy: -23.478594
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -6.063
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -44.147941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.147941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.147941 (E_RNA)
where:
Base-Base interactions energy: -19.940
where: short stacking energy: -19.940
Base-Backbone interact. energy: -0.040
local terms energy: -24.168438
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -6.474
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -39.211785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.211785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.211785 (E_RNA)
where:
Base-Base interactions energy: -16.400
where: short stacking energy: -16.400
Base-Backbone interact. energy: -0.000
local terms energy: -22.811411
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -2.516
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -34.343421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.343421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.343421 (E_RNA)
where:
Base-Base interactions energy: -12.480
where: short stacking energy: -12.480
Base-Backbone interact. energy: -0.077
local terms energy: -21.786674
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.994
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: 0.408
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: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -35.314725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.314725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.314725 (E_RNA)
where:
Base-Base interactions energy: -12.489
where: short stacking energy: -12.489
Base-Backbone interact. energy: -0.049
local terms energy: -22.777412
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -3.405
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: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -32.187377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.187377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.187377 (E_RNA)
where:
Base-Base interactions energy: -8.926
where: short stacking energy: -8.926
Base-Backbone interact. energy: -0.010
local terms energy: -23.251307
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.247
flat angles P-C4'-P energy: -5.244
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: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -56.460620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.460620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.460620 (E_RNA)
where:
Base-Base interactions energy: -27.230
where: short stacking energy: -27.230
Base-Backbone interact. energy: -0.001
local terms energy: -29.229696
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -49.567625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.567625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.567625 (E_RNA)
where:
Base-Base interactions energy: -17.034
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.000
local terms energy: -32.533360
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -6.710
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: 209
Temperature: 1.000000
Total energy: -45.355850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.355850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.355850 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.095
local terms energy: -28.087307
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -4.419
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: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -42.381652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.381652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.381652 (E_RNA)
where:
Base-Base interactions energy: -15.816
where: short stacking energy: -15.816
Base-Backbone interact. energy: -0.035
local terms energy: -26.531065
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.712
flat angles C4'-P-C4' energy: -4.640
flat angles P-C4'-P energy: -4.859
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: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -44.784060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.784060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.784060 (E_RNA)
where:
Base-Base interactions energy: -18.965
where: short stacking energy: -18.024
Base-Backbone interact. energy: -0.005
local terms energy: -25.813611
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.705
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -4.732
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: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -35.509351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.509351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.509351 (E_RNA)
where:
Base-Base interactions energy: -13.535
where: short stacking energy: -13.535
Base-Backbone interact. energy: -0.027
local terms energy: -21.947036
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -4.458
flat angles P-C4'-P energy: -1.576
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: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -39.369811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.369811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.369811 (E_RNA)
where:
Base-Base interactions energy: -11.378
where: short stacking energy: -11.006
Base-Backbone interact. energy: -0.104
local terms energy: -27.888717
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -5.283
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -3.056
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: 209
Temperature: 1.250000
Total energy: -38.045751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.045751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.045751 (E_RNA)
where:
Base-Base interactions energy: -11.647
where: short stacking energy: -11.647
Base-Backbone interact. energy: -0.171
local terms energy: -26.227483
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -42.719007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.719007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.719007 (E_RNA)
where:
Base-Base interactions energy: -15.184
where: short stacking energy: -15.184
Base-Backbone interact. energy: -0.001
local terms energy: -27.534558
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.068
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: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -36.560525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.560525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.560525 (E_RNA)
where:
Base-Base interactions energy: -12.918
where: short stacking energy: -12.918
Base-Backbone interact. energy: -0.001
local terms energy: -23.641685
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -48.569167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.569167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.569167 (E_RNA)
where:
Base-Base interactions energy: -22.939
where: short stacking energy: -19.308
Base-Backbone interact. energy: -0.005
local terms energy: -25.625288
where:
bonds (distance) C4'-P energy: -5.599
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -51.586935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.586935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.586935 (E_RNA)
where:
Base-Base interactions energy: -23.573
where: short stacking energy: -23.573
Base-Backbone interact. energy: -0.000
local terms energy: -28.013725
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.474
flat angles C4'-P-C4' energy: -6.413
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -45.870853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.870853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.870853 (E_RNA)
where:
Base-Base interactions energy: -19.053
where: short stacking energy: -19.053
Base-Backbone interact. energy: -0.095
local terms energy: -26.722729
where:
bonds (distance) C4'-P energy: -4.767
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -44.894302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.894302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.894302 (E_RNA)
where:
Base-Base interactions energy: -19.475
where: short stacking energy: -18.143
Base-Backbone interact. energy: -0.043
local terms energy: -25.375955
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.750
flat angles P-C4'-P energy: -4.727
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: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -37.234908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.234908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.234908 (E_RNA)
where:
Base-Base interactions energy: -14.285
where: short stacking energy: -13.018
Base-Backbone interact. energy: -0.163
local terms energy: -22.787299
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -39.423586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.423586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.423586 (E_RNA)
where:
Base-Base interactions energy: -16.939
where: short stacking energy: -16.939
Base-Backbone interact. energy: -0.007
local terms energy: -22.477809
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -0.572
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -38.829175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.829175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.829175 (E_RNA)
where:
Base-Base interactions energy: -18.474
where: short stacking energy: -18.474
Base-Backbone interact. energy: -0.005
local terms energy: -20.349868
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -1.719
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -41.796258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.796258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.796258 (E_RNA)
where:
Base-Base interactions energy: -15.549
where: short stacking energy: -15.549
Base-Backbone interact. energy: -0.000
local terms energy: -26.247151
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.316
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -35.691565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.691565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.691565 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.020
local terms energy: -22.761371
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -2.922
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -34.854806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.854806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.854806 (E_RNA)
where:
Base-Base interactions energy: -7.970
where: short stacking energy: -7.970
Base-Backbone interact. energy: -0.034
local terms energy: -26.851316
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -56.519852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.519852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.519852 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -30.904834
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -43.130926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.130926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.130926 (E_RNA)
where:
Base-Base interactions energy: -15.249
where: short stacking energy: -15.249
Base-Backbone interact. energy: -0.021
local terms energy: -27.860882
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -47.129852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.129852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.129852 (E_RNA)
where:
Base-Base interactions energy: -21.663
where: short stacking energy: -21.663
Base-Backbone interact. energy: -0.000
local terms energy: -25.466482
where:
bonds (distance) C4'-P energy: -3.984
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.016
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -41.809213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.809213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.809213 (E_RNA)
where:
Base-Base interactions energy: -17.716
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.024
local terms energy: -24.069484
where:
bonds (distance) C4'-P energy: -4.759
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -7.274
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -44.344022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.344022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.344022 (E_RNA)
where:
Base-Base interactions energy: -19.266
where: short stacking energy: -19.266
Base-Backbone interact. energy: -0.014
local terms energy: -25.064454
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -3.040
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -3.751
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: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -47.618253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.618253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.618253 (E_RNA)
where:
Base-Base interactions energy: -22.774
where: short stacking energy: -22.774
Base-Backbone interact. energy: -0.004
local terms energy: -24.840482
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -2.845
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -1.885
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -42.465395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.465395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.465395 (E_RNA)
where:
Base-Base interactions energy: -16.806
where: short stacking energy: -16.806
Base-Backbone interact. energy: -0.000
local terms energy: -25.659523
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -38.718244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.718244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.718244 (E_RNA)
where:
Base-Base interactions energy: -10.600
where: short stacking energy: -10.068
Base-Backbone interact. energy: -0.011
local terms energy: -28.107100
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -31.230289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.230289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.230289 (E_RNA)
where:
Base-Base interactions energy: -9.314
where: short stacking energy: -8.252
Base-Backbone interact. energy: -0.022
local terms energy: -21.894208
where:
bonds (distance) C4'-P energy: -3.791
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -39.240735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.240735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.240735 (E_RNA)
where:
Base-Base interactions energy: -14.018
where: short stacking energy: -14.018
Base-Backbone interact. energy: -0.002
local terms energy: -25.221603
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -53.103951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.103951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.103951 (E_RNA)
where:
Base-Base interactions energy: -25.984
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.000
local terms energy: -27.119695
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -6.024
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -58.770007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.770007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.770007 (E_RNA)
where:
Base-Base interactions energy: -26.805
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.000
local terms energy: -31.965215
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.932
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -46.696540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.696540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.696540 (E_RNA)
where:
Base-Base interactions energy: -19.185
where: short stacking energy: -19.185
Base-Backbone interact. energy: -0.002
local terms energy: -27.509222
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -6.551
flat angles C4'-P-C4' energy: -4.913
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -46.304895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.304895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.304895 (E_RNA)
where:
Base-Base interactions energy: -19.894
where: short stacking energy: -19.894
Base-Backbone interact. energy: -0.109
local terms energy: -26.302022
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -4.249
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -43.258250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.258250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.258250 (E_RNA)
where:
Base-Base interactions energy: -17.468
where: short stacking energy: -16.740
Base-Backbone interact. energy: -0.024
local terms energy: -25.766332
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.285
flat angles P-C4'-P energy: -2.328
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -38.218267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.218267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.218267 (E_RNA)
where:
Base-Base interactions energy: -11.654
where: short stacking energy: -11.654
Base-Backbone interact. energy: -0.004
local terms energy: -26.560766
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -42.253760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.253760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.253760 (E_RNA)
where:
Base-Base interactions energy: -17.049
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.000
local terms energy: -25.204468
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.101
flat angles C4'-P-C4' energy: -4.931
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -35.566836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.566836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.566836 (E_RNA)
where:
Base-Base interactions energy: -9.428
where: short stacking energy: -9.428
Base-Backbone interact. energy: -0.004
local terms energy: -26.134991
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -5.267
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: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -39.229331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.229331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.229331 (E_RNA)
where:
Base-Base interactions energy: -15.842
where: short stacking energy: -12.812
Base-Backbone interact. energy: -0.025
local terms energy: -23.361806
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -4.005
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -40.823005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.823005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.823005 (E_RNA)
where:
Base-Base interactions energy: -15.799
where: short stacking energy: -15.799
Base-Backbone interact. energy: -0.000
local terms energy: -25.023836
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -3.173
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -49.693225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.693225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.693225 (E_RNA)
where:
Base-Base interactions energy: -22.061
where: short stacking energy: -20.630
Base-Backbone interact. energy: -0.085
local terms energy: -27.547263
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -55.224380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.224380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.224380 (E_RNA)
where:
Base-Base interactions energy: -24.455
where: short stacking energy: -24.455
Base-Backbone interact. energy: -0.000
local terms energy: -30.769747
where:
bonds (distance) C4'-P energy: -4.250
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -5.450
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: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -48.653383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.653383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.653383 (E_RNA)
where:
Base-Base interactions energy: -20.380
where: short stacking energy: -18.418
Base-Backbone interact. energy: 0.747
local terms energy: -29.020656
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -43.216890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216890 (E_RNA)
where:
Base-Base interactions energy: -15.403
where: short stacking energy: -15.403
Base-Backbone interact. energy: -0.007
local terms energy: -27.806941
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -39.562468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.562468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.562468 (E_RNA)
where:
Base-Base interactions energy: -18.442
where: short stacking energy: -17.098
Base-Backbone interact. energy: -0.001
local terms energy: -21.119778
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -5.293
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -39.342075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.342075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.342075 (E_RNA)
where:
Base-Base interactions energy: -14.591
where: short stacking energy: -11.890
Base-Backbone interact. energy: -0.000
local terms energy: -24.750779
where:
bonds (distance) C4'-P energy: -3.186
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -39.668249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.668249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.668249 (E_RNA)
where:
Base-Base interactions energy: -14.384
where: short stacking energy: -12.530
Base-Backbone interact. energy: -0.000
local terms energy: -25.284419
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.412
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -4.030
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -32.991688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.991688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.991688 (E_RNA)
where:
Base-Base interactions energy: -9.114
where: short stacking energy: -9.114
Base-Backbone interact. energy: -0.001
local terms energy: -23.877345
where:
bonds (distance) C4'-P energy: -3.811
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.590
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -38.273037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.273037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.273037 (E_RNA)
where:
Base-Base interactions energy: -12.266
where: short stacking energy: -12.266
Base-Backbone interact. energy: -0.002
local terms energy: -26.004894
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -29.975571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.975571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.975571 (E_RNA)
where:
Base-Base interactions energy: -7.516
where: short stacking energy: -7.516
Base-Backbone interact. energy: -0.078
local terms energy: -22.382155
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -53.783723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.783723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.783723 (E_RNA)
where:
Base-Base interactions energy: -22.827
where: short stacking energy: -21.755
Base-Backbone interact. energy: -0.000
local terms energy: -30.956881
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -55.281623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.281623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.281623 (E_RNA)
where:
Base-Base interactions energy: -24.166
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.000
local terms energy: -31.115902
where:
bonds (distance) C4'-P energy: -5.293
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -6.085
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -51.216659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.216659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.216659 (E_RNA)
where:
Base-Base interactions energy: -22.963
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.005
local terms energy: -28.248336
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -1.063
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -44.382935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.382935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.382935 (E_RNA)
where:
Base-Base interactions energy: -16.484
where: short stacking energy: -16.484
Base-Backbone interact. energy: -0.003
local terms energy: -27.895505
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -41.087122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.087122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.087122 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -13.344
Base-Backbone interact. energy: -0.000
local terms energy: -25.734065
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -40.163049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.163049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.163049 (E_RNA)
where:
Base-Base interactions energy: -17.293
where: short stacking energy: -17.293
Base-Backbone interact. energy: -0.086
local terms energy: -22.783979
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.679
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -2.026
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: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -42.257810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.257810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.257810 (E_RNA)
where:
Base-Base interactions energy: -14.094
where: short stacking energy: -14.094
Base-Backbone interact. energy: -0.074
local terms energy: -28.090273
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.906
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -36.622137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.622137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.622137 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -12.292
Base-Backbone interact. energy: -0.188
local terms energy: -22.834776
where:
bonds (distance) C4'-P energy: -3.770
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -1.294
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -36.940933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.940933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.940933 (E_RNA)
where:
Base-Base interactions energy: -10.727
where: short stacking energy: -10.727
Base-Backbone interact. energy: -0.060
local terms energy: -26.153966
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -33.558885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.558885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.558885 (E_RNA)
where:
Base-Base interactions energy: -10.393
where: short stacking energy: -10.393
Base-Backbone interact. energy: -0.107
local terms energy: -23.058967
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -4.955
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -53.378302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.378302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.378302 (E_RNA)
where:
Base-Base interactions energy: -22.226
where: short stacking energy: -19.456
Base-Backbone interact. energy: -0.004
local terms energy: -31.148072
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -47.726031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.726031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.726031 (E_RNA)
where:
Base-Base interactions energy: -22.133
where: short stacking energy: -22.133
Base-Backbone interact. energy: -0.000
local terms energy: -25.593331
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -5.401
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -43.260818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.260818 (E_RNA)
where:
Base-Base interactions energy: -15.018
where: short stacking energy: -14.534
Base-Backbone interact. energy: -0.000
local terms energy: -28.243256
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.708
flat angles P-C4'-P energy: -2.952
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: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -44.171861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.171861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.171861 (E_RNA)
where:
Base-Base interactions energy: -15.513
where: short stacking energy: -15.513
Base-Backbone interact. energy: -0.098
local terms energy: -28.560627
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -42.779275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.779275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.779275 (E_RNA)
where:
Base-Base interactions energy: -15.235
where: short stacking energy: -15.235
Base-Backbone interact. energy: -0.000
local terms energy: -27.544596
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -36.443290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.443290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.443290 (E_RNA)
where:
Base-Base interactions energy: -16.912
where: short stacking energy: -16.912
Base-Backbone interact. energy: -0.155
local terms energy: -19.376244
where:
bonds (distance) C4'-P energy: -2.752
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -4.463
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -32.641732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.641732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.641732 (E_RNA)
where:
Base-Base interactions energy: -10.891
where: short stacking energy: -10.891
Base-Backbone interact. energy: -0.157
local terms energy: -21.594124
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -4.654
flat angles P-C4'-P energy: -3.509
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: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -37.776968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.776968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.776968 (E_RNA)
where:
Base-Base interactions energy: -13.867
where: short stacking energy: -12.590
Base-Backbone interact. energy: -0.039
local terms energy: -23.871274
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.048
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -38.622983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.622983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.622983 (E_RNA)
where:
Base-Base interactions energy: -12.512
where: short stacking energy: -12.512
Base-Backbone interact. energy: -0.545
local terms energy: -25.566160
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -33.590848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.590848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.590848 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -13.606
Base-Backbone interact. energy: -0.002
local terms energy: -19.983119
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -2.507
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -47.156494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.156494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.156494 (E_RNA)
where:
Base-Base interactions energy: -20.987
where: short stacking energy: -15.654
Base-Backbone interact. energy: -0.015
local terms energy: -26.154807
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -6.060
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -60.096572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.096572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.096572 (E_RNA)
where:
Base-Base interactions energy: -27.959
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.000
local terms energy: -32.137957
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -7.550
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -51.460965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.460965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.460965 (E_RNA)
where:
Base-Base interactions energy: -20.537
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.000
local terms energy: -30.923806
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -7.273
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -50.814904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.814904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.814904 (E_RNA)
where:
Base-Base interactions energy: -21.616
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.000
local terms energy: -29.199024
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -2.984
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -7.683
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -42.624647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.624647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.624647 (E_RNA)
where:
Base-Base interactions energy: -16.441
where: short stacking energy: -16.441
Base-Backbone interact. energy: -0.000
local terms energy: -26.183773
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -46.100171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.100171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.100171 (E_RNA)
where:
Base-Base interactions energy: -22.607
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.000
local terms energy: -23.492807
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -2.842
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -39.545930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.545930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.545930 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.067
local terms energy: -23.585890
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -37.441959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.441959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.441959 (E_RNA)
where:
Base-Base interactions energy: -11.834
where: short stacking energy: -10.084
Base-Backbone interact. energy: -0.048
local terms energy: -25.560155
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -31.057390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.057390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.057390 (E_RNA)
where:
Base-Base interactions energy: -9.257
where: short stacking energy: -9.257
Base-Backbone interact. energy: -0.106
local terms energy: -21.693890
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -2.958
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -32.104854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.104854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.104854 (E_RNA)
where:
Base-Base interactions energy: -8.902
where: short stacking energy: -8.902
Base-Backbone interact. energy: -0.000
local terms energy: -23.202312
where:
bonds (distance) C4'-P energy: -5.731
bonds (distance) P-C4' energy: -5.072
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -3.297
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: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -60.355161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.355161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.355161 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.000
local terms energy: -31.669009
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.029
flat angles C4'-P-C4' energy: -5.880
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -48.457438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.457438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.457438 (E_RNA)
where:
Base-Base interactions energy: -21.559
where: short stacking energy: -17.550
Base-Backbone interact. energy: -0.006
local terms energy: -26.892970
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -2.585
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: 217
Temperature: 1.000000
Total energy: -46.614164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.614164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.614164 (E_RNA)
where:
Base-Base interactions energy: -16.213
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.000
local terms energy: -30.401314
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -3.936
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -42.028424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.028424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.028424 (E_RNA)
where:
Base-Base interactions energy: -19.941
where: short stacking energy: -19.941
Base-Backbone interact. energy: -0.031
local terms energy: -22.056128
where:
bonds (distance) C4'-P energy: -2.842
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -2.221
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -45.090095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.090095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.090095 (E_RNA)
where:
Base-Base interactions energy: -18.819
where: short stacking energy: -17.876
Base-Backbone interact. energy: -0.129
local terms energy: -26.142443
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -4.796
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -4.868
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -41.853633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.853633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.853633 (E_RNA)
where:
Base-Base interactions energy: -17.512
where: short stacking energy: -17.512
Base-Backbone interact. energy: -0.000
local terms energy: -24.341618
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -4.947
flat angles C4'-P-C4' energy: -3.605
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -4.871
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: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -39.485032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.485032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.485032 (E_RNA)
where:
Base-Base interactions energy: -17.449
where: short stacking energy: -17.449
Base-Backbone interact. energy: -0.000
local terms energy: -22.035619
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -2.857
flat angles C4'-P-C4' energy: -7.028
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -36.965693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.965693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.965693 (E_RNA)
where:
Base-Base interactions energy: -15.127
where: short stacking energy: -15.127
Base-Backbone interact. energy: -0.062
local terms energy: -21.777339
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -6.139
flat angles C4'-P-C4' energy: -4.932
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -32.044096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.044096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.044096 (E_RNA)
where:
Base-Base interactions energy: -13.252
where: short stacking energy: -13.178
Base-Backbone interact. energy: -0.129
local terms energy: -18.663817
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -2.630
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -37.655726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.655726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.655726 (E_RNA)
where:
Base-Base interactions energy: -12.079
where: short stacking energy: -12.079
Base-Backbone interact. energy: -0.008
local terms energy: -25.569127
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -57.445208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.445208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.445208 (E_RNA)
where:
Base-Base interactions energy: -28.192
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.000
local terms energy: -29.253411
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -47.259126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.259126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.259126 (E_RNA)
where:
Base-Base interactions energy: -19.076
where: short stacking energy: -16.618
Base-Backbone interact. energy: -0.086
local terms energy: -28.097941
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -41.289207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.289207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.289207 (E_RNA)
where:
Base-Base interactions energy: -12.672
where: short stacking energy: -12.672
Base-Backbone interact. energy: -0.000
local terms energy: -28.617692
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -53.644982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.644982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.644982 (E_RNA)
where:
Base-Base interactions energy: -23.392
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.000
local terms energy: -30.252458
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -49.795641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.795641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.795641 (E_RNA)
where:
Base-Base interactions energy: -21.827
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.001
local terms energy: -27.967743
where:
bonds (distance) C4'-P energy: -4.651
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -5.191
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: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -42.577694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.577694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.577694 (E_RNA)
where:
Base-Base interactions energy: -15.945
where: short stacking energy: -15.945
Base-Backbone interact. energy: -0.000
local terms energy: -26.633032
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -34.291553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.291553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.291553 (E_RNA)
where:
Base-Base interactions energy: -9.713
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.000
local terms energy: -24.578520
where:
bonds (distance) C4'-P energy: -4.933
bonds (distance) P-C4' energy: -5.740
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -37.022217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.022217 (E_RNA)
where:
Base-Base interactions energy: -14.465
where: short stacking energy: -14.465
Base-Backbone interact. energy: -0.002
local terms energy: -22.555599
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -2.202
flat angles P-C4'-P energy: -5.328
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: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -32.476630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.476630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.476630 (E_RNA)
where:
Base-Base interactions energy: -9.092
where: short stacking energy: -9.092
Base-Backbone interact. energy: 0.822
local terms energy: -24.206785
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -5.185
flat angles C4'-P-C4' energy: -5.664
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -39.126499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.126499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.126499 (E_RNA)
where:
Base-Base interactions energy: -15.298
where: short stacking energy: -12.815
Base-Backbone interact. energy: -0.043
local terms energy: -23.785013
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -4.247
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -57.597276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.597276 (E_RNA)
where:
Base-Base interactions energy: -25.201
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.000
local terms energy: -32.396285
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -52.567173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.567173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.567173 (E_RNA)
where:
Base-Base interactions energy: -24.324
where: short stacking energy: -24.324
Base-Backbone interact. energy: -0.000
local terms energy: -28.243442
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -7.122
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: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -38.709660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.709660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.709660 (E_RNA)
where:
Base-Base interactions energy: -14.813
where: short stacking energy: -13.986
Base-Backbone interact. energy: -0.120
local terms energy: -23.776064
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -4.952
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -49.290038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.290038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.290038 (E_RNA)
where:
Base-Base interactions energy: -22.725
where: short stacking energy: -19.739
Base-Backbone interact. energy: 0.968
local terms energy: -27.532826
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -4.473
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -5.601
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: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -54.742344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.742344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.742344 (E_RNA)
where:
Base-Base interactions energy: -22.426
where: short stacking energy: -21.896
Base-Backbone interact. energy: -0.214
local terms energy: -32.102460
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -7.193
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: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -40.961687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.961687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.961687 (E_RNA)
where:
Base-Base interactions energy: -16.139
where: short stacking energy: -16.020
Base-Backbone interact. energy: -0.045
local terms energy: -24.777143
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -40.217750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.217750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.217750 (E_RNA)
where:
Base-Base interactions energy: -16.387
where: short stacking energy: -16.387
Base-Backbone interact. energy: -0.002
local terms energy: -23.828572
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.269
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -2.605
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: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -34.755370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.755370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.755370 (E_RNA)
where:
Base-Base interactions energy: -11.143
where: short stacking energy: -9.128
Base-Backbone interact. energy: -0.044
local terms energy: -23.568374
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -4.086
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -33.602549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.602549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.602549 (E_RNA)
where:
Base-Base interactions energy: -10.119
where: short stacking energy: -9.470
Base-Backbone interact. energy: -0.001
local terms energy: -23.481816
where:
bonds (distance) C4'-P energy: -4.650
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -30.954761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.954761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.954761 (E_RNA)
where:
Base-Base interactions energy: -10.383
where: short stacking energy: -10.383
Base-Backbone interact. energy: -0.101
local terms energy: -20.470596
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -4.652
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -1.153
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -56.593457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.593457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.593457 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.000
local terms energy: -33.470870
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -46.394036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.394036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.394036 (E_RNA)
where:
Base-Base interactions energy: -17.420
where: short stacking energy: -17.420
Base-Backbone interact. energy: -0.000
local terms energy: -28.974120
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -50.075082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.075082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.075082 (E_RNA)
where:
Base-Base interactions energy: -24.821
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.076
local terms energy: -25.177589
where:
bonds (distance) C4'-P energy: -5.268
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -2.388
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -45.564206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.564206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.564206 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -27.702243
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -4.268
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: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -42.939784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.939784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.939784 (E_RNA)
where:
Base-Base interactions energy: -15.745
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.000
local terms energy: -27.194329
where:
bonds (distance) C4'-P energy: -5.157
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -47.601141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.601141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.601141 (E_RNA)
where:
Base-Base interactions energy: -19.055
where: short stacking energy: -15.565
Base-Backbone interact. energy: -0.014
local terms energy: -28.532599
where:
bonds (distance) C4'-P energy: -5.785
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -5.188
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: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -38.542262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.542262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.542262 (E_RNA)
where:
Base-Base interactions energy: -15.614
where: short stacking energy: -15.614
Base-Backbone interact. energy: -0.010
local terms energy: -22.917594
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -2.443
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: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -34.156029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.156029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.156029 (E_RNA)
where:
Base-Base interactions energy: -13.993
where: short stacking energy: -13.993
Base-Backbone interact. energy: -0.050
local terms energy: -20.112502
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -3.970
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -2.944
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: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -36.436329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.436329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.436329 (E_RNA)
where:
Base-Base interactions energy: -13.800
where: short stacking energy: -13.800
Base-Backbone interact. energy: -0.091
local terms energy: -22.545334
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -31.993402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.993402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.993402 (E_RNA)
where:
Base-Base interactions energy: -11.830
where: short stacking energy: -11.830
Base-Backbone interact. energy: -0.001
local terms energy: -20.161938
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.699
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -54.891665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.891665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.891665 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -24.591
Base-Backbone interact. energy: -0.000
local terms energy: -30.300491
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -55.142047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.142047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.142047 (E_RNA)
where:
Base-Base interactions energy: -24.023
where: short stacking energy: -24.023
Base-Backbone interact. energy: -0.000
local terms energy: -31.119068
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -8.651
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -54.947870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.947870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.947870 (E_RNA)
where:
Base-Base interactions energy: -25.104
where: short stacking energy: -25.104
Base-Backbone interact. energy: -0.000
local terms energy: -29.844143
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -44.867958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.867958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.867958 (E_RNA)
where:
Base-Base interactions energy: -18.012
where: short stacking energy: -18.012
Base-Backbone interact. energy: 0.198
local terms energy: -27.054324
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -46.581449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.581449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.581449 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -18.803
Base-Backbone interact. energy: -0.001
local terms energy: -27.777437
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -3.061
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -45.433406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.433406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.433406 (E_RNA)
where:
Base-Base interactions energy: -19.995
where: short stacking energy: -18.728
Base-Backbone interact. energy: -0.002
local terms energy: -25.436881
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -42.432450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.432450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.432450 (E_RNA)
where:
Base-Base interactions energy: -20.014
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.001
local terms energy: -22.418037
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -4.937
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -4.157
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: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -32.582217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.582217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.582217 (E_RNA)
where:
Base-Base interactions energy: -9.526
where: short stacking energy: -9.526
Base-Backbone interact. energy: -0.005
local terms energy: -23.052005
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -38.679138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.679138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.679138 (E_RNA)
where:
Base-Base interactions energy: -13.917
where: short stacking energy: -13.917
Base-Backbone interact. energy: -0.004
local terms energy: -24.757789
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -1.884
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -37.600496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.600496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.600496 (E_RNA)
where:
Base-Base interactions energy: -17.023
where: short stacking energy: -14.001
Base-Backbone interact. energy: -0.040
local terms energy: -20.537174
where:
bonds (distance) C4'-P energy: -3.985
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.292
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -50.124066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.124066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.124066 (E_RNA)
where:
Base-Base interactions energy: -20.158
where: short stacking energy: -20.158
Base-Backbone interact. energy: -0.093
local terms energy: -29.873646
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -44.261747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.261747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.261747 (E_RNA)
where:
Base-Base interactions energy: -16.631
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.001
local terms energy: -27.629611
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -0.717
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -42.880446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.880446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.880446 (E_RNA)
where:
Base-Base interactions energy: -17.189
where: short stacking energy: -15.722
Base-Backbone interact. energy: -0.013
local terms energy: -25.678341
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -3.828
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: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -48.271409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.271409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.271409 (E_RNA)
where:
Base-Base interactions energy: -20.375
where: short stacking energy: -20.375
Base-Backbone interact. energy: -0.000
local terms energy: -27.896571
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -5.481
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -7.903
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: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -41.716012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.716012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.716012 (E_RNA)
where:
Base-Base interactions energy: -18.071
where: short stacking energy: -18.071
Base-Backbone interact. energy: -0.003
local terms energy: -23.642141
where:
bonds (distance) C4'-P energy: -4.283
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -35.019476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.019476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.019476 (E_RNA)
where:
Base-Base interactions energy: -10.361
where: short stacking energy: -10.361
Base-Backbone interact. energy: -0.013
local terms energy: -24.645962
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.482
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -33.933054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.933054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.933054 (E_RNA)
where:
Base-Base interactions energy: -10.268
where: short stacking energy: -10.268
Base-Backbone interact. energy: -0.000
local terms energy: -23.664981
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -34.868537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.868537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.868537 (E_RNA)
where:
Base-Base interactions energy: -10.553
where: short stacking energy: -10.553
Base-Backbone interact. energy: -0.088
local terms energy: -24.227546
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -4.606
flat angles C4'-P-C4' energy: -6.574
flat angles P-C4'-P energy: -5.467
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: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -33.616331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.616331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.616331 (E_RNA)
where:
Base-Base interactions energy: -10.019
where: short stacking energy: -10.019
Base-Backbone interact. energy: -0.003
local terms energy: -23.593808
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -3.899
flat angles P-C4'-P energy: -4.116
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: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -34.317029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.317029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.317029 (E_RNA)
where:
Base-Base interactions energy: -9.654
where: short stacking energy: -9.654
Base-Backbone interact. energy: -0.008
local terms energy: -24.655724
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -56.502401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.502401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.502401 (E_RNA)
where:
Base-Base interactions energy: -23.516
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.000
local terms energy: -32.986085
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -5.738
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -8.958
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: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -48.172001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.172001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.172001 (E_RNA)
where:
Base-Base interactions energy: -23.909
where: short stacking energy: -23.909
Base-Backbone interact. energy: -0.000
local terms energy: -24.262246
where:
bonds (distance) C4'-P energy: -3.719
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -43.542604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.542604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.542604 (E_RNA)
where:
Base-Base interactions energy: -15.754
where: short stacking energy: -15.754
Base-Backbone interact. energy: -0.000
local terms energy: -27.789000
where:
bonds (distance) C4'-P energy: -5.778
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -4.035
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -46.382296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.382296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.382296 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -20.583
Base-Backbone interact. energy: -0.036
local terms energy: -25.762964
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -5.392
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -43.389873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.389873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.389873 (E_RNA)
where:
Base-Base interactions energy: -19.615
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.096
local terms energy: -23.678484
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -6.865
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -55.373222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.373222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.373222 (E_RNA)
where:
Base-Base interactions energy: -23.060
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.000
local terms energy: -32.313160
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -7.431
flat angles P-C4'-P energy: -3.790
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -30.300215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.300215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.300215 (E_RNA)
where:
Base-Base interactions energy: -9.050
where: short stacking energy: -5.918
Base-Backbone interact. energy: -0.053
local terms energy: -21.196447
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -3.125
tors. eta vs tors. theta energy: 2.615
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: 223
Temperature: 1.250000
Total energy: -37.781269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.781269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.781269 (E_RNA)
where:
Base-Base interactions energy: -13.912
where: short stacking energy: -12.480
Base-Backbone interact. energy: -0.012
local terms energy: -23.857237
where:
bonds (distance) C4'-P energy: -4.589
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -3.234
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -37.237324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.237324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.237324 (E_RNA)
where:
Base-Base interactions energy: -11.848
where: short stacking energy: -10.659
Base-Backbone interact. energy: 0.312
local terms energy: -25.701083
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -6.139
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -43.596045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.596045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.596045 (E_RNA)
where:
Base-Base interactions energy: -19.317
where: short stacking energy: -19.317
Base-Backbone interact. energy: -0.001
local terms energy: -24.277259
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -3.274
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: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -55.402932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.402932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.402932 (E_RNA)
where:
Base-Base interactions energy: -25.357
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.063
local terms energy: -29.982198
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -6.746
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -48.436050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.436050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.436050 (E_RNA)
where:
Base-Base interactions energy: -21.521
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.000
local terms energy: -26.914765
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -3.355
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -46.895090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.895090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.895090 (E_RNA)
where:
Base-Base interactions energy: -18.455
where: short stacking energy: -14.416
Base-Backbone interact. energy: -0.612
local terms energy: -27.828589
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -42.077737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.077737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.077737 (E_RNA)
where:
Base-Base interactions energy: -17.970
where: short stacking energy: -17.970
Base-Backbone interact. energy: -0.000
local terms energy: -24.107891
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -42.504090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.504090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.504090 (E_RNA)
where:
Base-Base interactions energy: -17.847
where: short stacking energy: -17.678
Base-Backbone interact. energy: -0.058
local terms energy: -24.598826
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.627
flat angles P-C4'-P energy: -2.495
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -41.691618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.691618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.691618 (E_RNA)
where:
Base-Base interactions energy: -19.051
where: short stacking energy: -19.051
Base-Backbone interact. energy: -0.000
local terms energy: -22.640723
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -3.735
flat angles P-C4'-P energy: -1.736
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -35.647971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.647971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.647971 (E_RNA)
where:
Base-Base interactions energy: -14.834
where: short stacking energy: -12.700
Base-Backbone interact. energy: -0.047
local terms energy: -20.766499
where:
bonds (distance) C4'-P energy: -4.197
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -40.468991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.468991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.468991 (E_RNA)
where:
Base-Base interactions energy: -13.791
where: short stacking energy: -13.791
Base-Backbone interact. energy: -0.039
local terms energy: -26.639061
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -43.303217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.303217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.303217 (E_RNA)
where:
Base-Base interactions energy: -18.504
where: short stacking energy: -18.504
Base-Backbone interact. energy: -0.018
local terms energy: -24.781095
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -34.072455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.072455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.072455 (E_RNA)
where:
Base-Base interactions energy: -8.701
where: short stacking energy: -7.879
Base-Backbone interact. energy: -0.109
local terms energy: -25.262601
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -5.749
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -43.773922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.773922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.773922 (E_RNA)
where:
Base-Base interactions energy: -15.842
where: short stacking energy: -15.842
Base-Backbone interact. energy: -0.094
local terms energy: -27.838284
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -55.005295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.005295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.005295 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.000
local terms energy: -24.467476
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -4.234
flat angles C4'-P-C4' energy: -4.088
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -5.012
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: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -49.860540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.860540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.860540 (E_RNA)
where:
Base-Base interactions energy: -19.308
where: short stacking energy: -19.308
Base-Backbone interact. energy: -0.001
local terms energy: -30.551857
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -6.108
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: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -44.648245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.648245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.648245 (E_RNA)
where:
Base-Base interactions energy: -17.263
where: short stacking energy: -17.263
Base-Backbone interact. energy: -0.000
local terms energy: -27.385166
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -41.926856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.926856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.926856 (E_RNA)
where:
Base-Base interactions energy: -18.757
where: short stacking energy: -18.142
Base-Backbone interact. energy: -0.001
local terms energy: -23.168383
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -2.596
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: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -35.956287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.956287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.956287 (E_RNA)
where:
Base-Base interactions energy: -11.589
where: short stacking energy: -11.589
Base-Backbone interact. energy: -0.086
local terms energy: -24.280648
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -46.111375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.111375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.111375 (E_RNA)
where:
Base-Base interactions energy: -18.793
where: short stacking energy: -18.793
Base-Backbone interact. energy: -0.000
local terms energy: -27.317780
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -4.897
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -38.142754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.142754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.142754 (E_RNA)
where:
Base-Base interactions energy: -20.082
where: short stacking energy: -16.431
Base-Backbone interact. energy: -0.002
local terms energy: -18.058914
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -2.607
flat angles C4'-P-C4' energy: -4.315
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -32.058761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.058761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.058761 (E_RNA)
where:
Base-Base interactions energy: -12.170
where: short stacking energy: -12.170
Base-Backbone interact. energy: -0.002
local terms energy: -19.886808
where:
bonds (distance) C4'-P energy: -4.961
bonds (distance) P-C4' energy: -3.963
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -4.348
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -34.874808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.874808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.874808 (E_RNA)
where:
Base-Base interactions energy: -12.980
where: short stacking energy: -12.980
Base-Backbone interact. energy: -0.000
local terms energy: -21.894695
where:
bonds (distance) C4'-P energy: -3.600
bonds (distance) P-C4' energy: -5.029
flat angles C4'-P-C4' energy: -5.716
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -51.435204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.435204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.435204 (E_RNA)
where:
Base-Base interactions energy: -23.055
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.000
local terms energy: -28.380441
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.017
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -5.382
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -55.735711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.735711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.735711 (E_RNA)
where:
Base-Base interactions energy: -24.085
where: short stacking energy: -24.085
Base-Backbone interact. energy: -0.000
local terms energy: -31.650142
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -7.627
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: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -52.202730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.202730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.202730 (E_RNA)
where:
Base-Base interactions energy: -24.737
where: short stacking energy: -20.986
Base-Backbone interact. energy: -0.011
local terms energy: -27.454719
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -45.919016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.919016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.919016 (E_RNA)
where:
Base-Base interactions energy: -17.539
where: short stacking energy: -17.539
Base-Backbone interact. energy: -0.000
local terms energy: -28.379908
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -6.072
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -42.842844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.842844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.842844 (E_RNA)
where:
Base-Base interactions energy: -16.235
where: short stacking energy: -15.555
Base-Backbone interact. energy: -0.619
local terms energy: -25.988149
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -34.302611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.302611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.302611 (E_RNA)
where:
Base-Base interactions energy: -9.491
where: short stacking energy: -8.556
Base-Backbone interact. energy: -0.016
local terms energy: -24.795351
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -3.584
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -1.292
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: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -43.099502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.099502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.099502 (E_RNA)
where:
Base-Base interactions energy: -18.843
where: short stacking energy: -18.303
Base-Backbone interact. energy: -0.709
local terms energy: -23.547954
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.705
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -47.574156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.574156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.574156 (E_RNA)
where:
Base-Base interactions energy: -25.177
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.001
local terms energy: -22.396836
where:
bonds (distance) C4'-P energy: -4.439
bonds (distance) P-C4' energy: -4.667
flat angles C4'-P-C4' energy: -3.695
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -32.685738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.685738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.685738 (E_RNA)
where:
Base-Base interactions energy: -7.838
where: short stacking energy: -7.838
Base-Backbone interact. energy: -0.004
local terms energy: -24.843257
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.736
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -40.293842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.293842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.293842 (E_RNA)
where:
Base-Base interactions energy: -13.887
where: short stacking energy: -13.887
Base-Backbone interact. energy: -0.081
local terms energy: -26.326299
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -4.900
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -56.440260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.440260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.440260 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.000
local terms energy: -25.280759
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -2.863
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -49.581767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.581767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.581767 (E_RNA)
where:
Base-Base interactions energy: -22.660
where: short stacking energy: -22.660
Base-Backbone interact. energy: -0.000
local terms energy: -26.921988
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -48.747731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.747731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.747731 (E_RNA)
where:
Base-Base interactions energy: -20.907
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.104
local terms energy: -27.737146
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.617
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -56.459553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.459553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.459553 (E_RNA)
where:
Base-Base interactions energy: -26.893
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.000
local terms energy: -29.566731
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -5.894
flat angles P-C4'-P energy: -2.161
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -44.879504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.879504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.879504 (E_RNA)
where:
Base-Base interactions energy: -19.009
where: short stacking energy: -17.963
Base-Backbone interact. energy: -0.790
local terms energy: -25.080413
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.044
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -41.801895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.801895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.801895 (E_RNA)
where:
Base-Base interactions energy: -17.693
where: short stacking energy: -15.921
Base-Backbone interact. energy: -0.055
local terms energy: -24.053735
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -6.991
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -1.542
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: 227
Temperature: 1.200000
Total energy: -34.172279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.172279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.172279 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -8.956
Base-Backbone interact. energy: -0.041
local terms energy: -25.175236
where:
bonds (distance) C4'-P energy: -4.986
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.888
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -32.381473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.381473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.381473 (E_RNA)
where:
Base-Base interactions energy: -11.714
where: short stacking energy: -9.896
Base-Backbone interact. energy: -0.056
local terms energy: -20.611780
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -1.308
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -39.181931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.181931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.181931 (E_RNA)
where:
Base-Base interactions energy: -15.176
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.005
local terms energy: -24.000901
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -34.528302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.528302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.528302 (E_RNA)
where:
Base-Base interactions energy: -11.667
where: short stacking energy: -11.667
Base-Backbone interact. energy: -0.053
local terms energy: -22.807909
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -0.005
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -55.024311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.024311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.024311 (E_RNA)
where:
Base-Base interactions energy: -22.833
where: short stacking energy: -22.833
Base-Backbone interact. energy: -0.000
local terms energy: -32.191095
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -47.106190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.106190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.106190 (E_RNA)
where:
Base-Base interactions energy: -21.443
where: short stacking energy: -21.443
Base-Backbone interact. energy: -0.031
local terms energy: -25.632758
where:
bonds (distance) C4'-P energy: -2.225
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.765
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -42.616740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.616740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.616740 (E_RNA)
where:
Base-Base interactions energy: -19.468
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.027
local terms energy: -23.121918
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -38.334066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.334066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.334066 (E_RNA)
where:
Base-Base interactions energy: -13.222
where: short stacking energy: -11.192
Base-Backbone interact. energy: -1.272
local terms energy: -23.840396
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -47.651354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.651354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.651354 (E_RNA)
where:
Base-Base interactions energy: -18.041
where: short stacking energy: -18.041
Base-Backbone interact. energy: -0.076
local terms energy: -29.533944
where:
bonds (distance) C4'-P energy: -5.041
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -35.741914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.741914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.741914 (E_RNA)
where:
Base-Base interactions energy: -14.380
where: short stacking energy: -11.208
Base-Backbone interact. energy: -0.011
local terms energy: -21.351326
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -45.719120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.719120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.719120 (E_RNA)
where:
Base-Base interactions energy: -21.193
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.001
local terms energy: -24.525809
where:
bonds (distance) C4'-P energy: -2.750
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -34.052111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.052111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.052111 (E_RNA)
where:
Base-Base interactions energy: -10.788
where: short stacking energy: -10.788
Base-Backbone interact. energy: -0.010
local terms energy: -23.253551
where:
bonds (distance) C4'-P energy: -5.016
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -1.078
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -36.326254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.326254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.326254 (E_RNA)
where:
Base-Base interactions energy: -11.079
where: short stacking energy: -11.079
Base-Backbone interact. energy: -0.086
local terms energy: -25.160831
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.068
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -35.864339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.864339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.864339 (E_RNA)
where:
Base-Base interactions energy: -14.140
where: short stacking energy: -14.140
Base-Backbone interact. energy: -0.003
local terms energy: -21.720793
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -2.330
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -49.408313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.408313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.408313 (E_RNA)
where:
Base-Base interactions energy: -19.974
where: short stacking energy: -19.974
Base-Backbone interact. energy: -0.001
local terms energy: -29.433816
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -5.847
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -5.485
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: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -46.059254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.059254 (E_RNA)
where:
Base-Base interactions energy: -21.718
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.000
local terms energy: -24.341459
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -5.828
flat angles P-C4'-P energy: -2.248
tors. eta vs tors. theta energy: -4.032
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -47.931467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.931467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.931467 (E_RNA)
where:
Base-Base interactions energy: -20.950
where: short stacking energy: -20.950
Base-Backbone interact. energy: -0.000
local terms energy: -26.981013
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -5.004
flat angles C4'-P-C4' energy: -6.530
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -43.368582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.368582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.368582 (E_RNA)
where:
Base-Base interactions energy: -18.625
where: short stacking energy: -18.625
Base-Backbone interact. energy: -0.002
local terms energy: -24.741580
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -4.656
flat angles P-C4'-P energy: -2.800
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -49.407426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.407426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.407426 (E_RNA)
where:
Base-Base interactions energy: -22.647
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.000
local terms energy: -26.760460
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -36.193240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.193240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.193240 (E_RNA)
where:
Base-Base interactions energy: -11.481
where: short stacking energy: -11.481
Base-Backbone interact. energy: -0.000
local terms energy: -24.712278
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.734
flat angles P-C4'-P energy: -4.703
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -42.374815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.374815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.374815 (E_RNA)
where:
Base-Base interactions energy: -16.556
where: short stacking energy: -16.556
Base-Backbone interact. energy: -0.099
local terms energy: -25.719420
where:
bonds (distance) C4'-P energy: -4.482
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -4.896
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -43.806797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.806797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.806797 (E_RNA)
where:
Base-Base interactions energy: -18.553
where: short stacking energy: -18.553
Base-Backbone interact. energy: -0.000
local terms energy: -25.253616
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -2.601
flat angles P-C4'-P energy: -2.771
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: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -35.007903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.007903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.007903 (E_RNA)
where:
Base-Base interactions energy: -16.129
where: short stacking energy: -16.129
Base-Backbone interact. energy: -0.029
local terms energy: -18.850401
where:
bonds (distance) C4'-P energy: 0.822
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.656
flat angles P-C4'-P energy: -2.878
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: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -34.409487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.409487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.409487 (E_RNA)
where:
Base-Base interactions energy: -9.043
where: short stacking energy: -9.043
Base-Backbone interact. energy: -0.002
local terms energy: -25.364905
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -3.358
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -49.362093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.362093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.362093 (E_RNA)
where:
Base-Base interactions energy: -22.773
where: short stacking energy: -22.773
Base-Backbone interact. energy: -0.000
local terms energy: -26.589302
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -3.516
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -46.401838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.401838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.401838 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -18.306
Base-Backbone interact. energy: -0.000
local terms energy: -28.096189
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -46.030648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.030648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.030648 (E_RNA)
where:
Base-Base interactions energy: -17.505
where: short stacking energy: -17.505
Base-Backbone interact. energy: -0.003
local terms energy: -28.522884
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -48.966950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.966950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.966950 (E_RNA)
where:
Base-Base interactions energy: -17.954
where: short stacking energy: -17.719
Base-Backbone interact. energy: -0.031
local terms energy: -30.981580
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -45.031200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.031200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.031200 (E_RNA)
where:
Base-Base interactions energy: -18.631
where: short stacking energy: -18.631
Base-Backbone interact. energy: -0.012
local terms energy: -26.387636
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -42.264572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.264572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.264572 (E_RNA)
where:
Base-Base interactions energy: -16.701
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.021
local terms energy: -25.542650
where:
bonds (distance) C4'-P energy: -4.866
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -38.584748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.584748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.584748 (E_RNA)
where:
Base-Base interactions energy: -15.186
where: short stacking energy: -15.186
Base-Backbone interact. energy: -0.000
local terms energy: -23.398452
where:
bonds (distance) C4'-P energy: -4.536
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -34.480196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.480196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.480196 (E_RNA)
where:
Base-Base interactions energy: -10.063
where: short stacking energy: -10.063
Base-Backbone interact. energy: 0.931
local terms energy: -25.348829
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -38.919163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.919163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.919163 (E_RNA)
where:
Base-Base interactions energy: -19.697
where: short stacking energy: -18.099
Base-Backbone interact. energy: -0.000
local terms energy: -19.222580
where:
bonds (distance) C4'-P energy: -1.198
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -2.551
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -34.950667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.950667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.950667 (E_RNA)
where:
Base-Base interactions energy: -9.299
where: short stacking energy: -7.395
Base-Backbone interact. energy: -0.093
local terms energy: -25.558909
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -7.055
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -50.310253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.310253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.310253 (E_RNA)
where:
Base-Base interactions energy: -24.105
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.004
local terms energy: -26.202121
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -3.616
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: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -47.588656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.588656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.588656 (E_RNA)
where:
Base-Base interactions energy: -19.664
where: short stacking energy: -19.664
Base-Backbone interact. energy: -0.025
local terms energy: -27.899867
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.184
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -49.395684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.395684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.395684 (E_RNA)
where:
Base-Base interactions energy: -21.184
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.000
local terms energy: -28.212091
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -51.672529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.672529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.672529 (E_RNA)
where:
Base-Base interactions energy: -22.803
where: short stacking energy: -21.301
Base-Backbone interact. energy: -0.001
local terms energy: -28.868632
where:
bonds (distance) C4'-P energy: -4.519
bonds (distance) P-C4' energy: -5.778
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -7.038
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: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -45.936363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.936363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.936363 (E_RNA)
where:
Base-Base interactions energy: -18.735
where: short stacking energy: -18.735
Base-Backbone interact. energy: -0.000
local terms energy: -27.201330
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -45.701995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.701995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.701995 (E_RNA)
where:
Base-Base interactions energy: -22.057
where: short stacking energy: -22.057
Base-Backbone interact. energy: -0.000
local terms energy: -23.645385
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -4.383
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -37.015441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.015441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.015441 (E_RNA)
where:
Base-Base interactions energy: -11.614
where: short stacking energy: -11.614
Base-Backbone interact. energy: -0.008
local terms energy: -25.393314
where:
bonds (distance) C4'-P energy: -4.576
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -34.280321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.280321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.280321 (E_RNA)
where:
Base-Base interactions energy: -11.112
where: short stacking energy: -11.112
Base-Backbone interact. energy: -0.058
local terms energy: -23.109888
where:
bonds (distance) C4'-P energy: -4.175
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -4.660
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: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -31.236785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.236785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.236785 (E_RNA)
where:
Base-Base interactions energy: -10.971
where: short stacking energy: -10.935
Base-Backbone interact. energy: -0.003
local terms energy: -20.262296
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -5.224
flat angles C4'-P-C4' energy: -3.683
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -37.250455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.250455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.250455 (E_RNA)
where:
Base-Base interactions energy: -10.120
where: short stacking energy: -10.120
Base-Backbone interact. energy: -0.000
local terms energy: -27.130768
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -2.085
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: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -58.496102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.496102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.496102 (E_RNA)
where:
Base-Base interactions energy: -26.727
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.000
local terms energy: -31.769546
where:
bonds (distance) C4'-P energy: -6.089
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -51.880288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.880288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.880288 (E_RNA)
where:
Base-Base interactions energy: -22.285
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.000
local terms energy: -29.595120
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.575
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -47.107363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.107363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.107363 (E_RNA)
where:
Base-Base interactions energy: -20.372
where: short stacking energy: -20.372
Base-Backbone interact. energy: -0.019
local terms energy: -26.716330
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -40.123392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.123392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.123392 (E_RNA)
where:
Base-Base interactions energy: -13.761
where: short stacking energy: -13.761
Base-Backbone interact. energy: -0.068
local terms energy: -26.293918
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.944
flat angles P-C4'-P energy: -3.134
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -42.649833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.649833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.649833 (E_RNA)
where:
Base-Base interactions energy: -12.789
where: short stacking energy: -12.789
Base-Backbone interact. energy: -0.000
local terms energy: -29.860973
where:
bonds (distance) C4'-P energy: -4.539
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -39.834457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.834457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.834457 (E_RNA)
where:
Base-Base interactions energy: -12.781
where: short stacking energy: -12.781
Base-Backbone interact. energy: -0.000
local terms energy: -27.053442
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -35.675521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.675521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.675521 (E_RNA)
where:
Base-Base interactions energy: -13.402
where: short stacking energy: -8.717
Base-Backbone interact. energy: -0.062
local terms energy: -22.212112
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -5.477
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -32.504146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.504146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.504146 (E_RNA)
where:
Base-Base interactions energy: -9.626
where: short stacking energy: -9.626
Base-Backbone interact. energy: 1.218
local terms energy: -24.095664
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -5.462
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -37.422478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.422478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.422478 (E_RNA)
where:
Base-Base interactions energy: -14.579
where: short stacking energy: -14.579
Base-Backbone interact. energy: -0.003
local terms energy: -22.840480
where:
bonds (distance) C4'-P energy: -2.713
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.022
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -37.238109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.238109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.238109 (E_RNA)
where:
Base-Base interactions energy: -13.055
where: short stacking energy: -10.315
Base-Backbone interact. energy: -0.173
local terms energy: -24.010533
where:
bonds (distance) C4'-P energy: -3.984
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -56.034229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.034229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.034229 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.000
local terms energy: -27.323542
where:
bonds (distance) C4'-P energy: -2.814
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.280
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -48.089237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.089237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.089237 (E_RNA)
where:
Base-Base interactions energy: -23.655
where: short stacking energy: -23.655
Base-Backbone interact. energy: -0.000
local terms energy: -24.433503
where:
bonds (distance) C4'-P energy: -1.373
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -40.536323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.536323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.536323 (E_RNA)
where:
Base-Base interactions energy: -21.036
where: short stacking energy: -15.911
Base-Backbone interact. energy: -0.004
local terms energy: -19.496267
where:
bonds (distance) C4'-P energy: -3.259
bonds (distance) P-C4' energy: -4.180
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -43.362867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.362867 (E_RNA)
where:
Base-Base interactions energy: -17.970
where: short stacking energy: -17.970
Base-Backbone interact. energy: -0.000
local terms energy: -25.392298
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -5.978
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -3.585
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: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -43.549496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.549496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.549496 (E_RNA)
where:
Base-Base interactions energy: -17.892
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.001
local terms energy: -25.656536
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -1.935
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -39.949381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.949381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.949381 (E_RNA)
where:
Base-Base interactions energy: -16.516
where: short stacking energy: -16.516
Base-Backbone interact. energy: -0.007
local terms energy: -23.425940
where:
bonds (distance) C4'-P energy: -3.861
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -4.175
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -43.969196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.969196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.969196 (E_RNA)
where:
Base-Base interactions energy: -20.284
where: short stacking energy: -20.284
Base-Backbone interact. energy: -0.075
local terms energy: -23.610738
where:
bonds (distance) C4'-P energy: -4.295
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -5.927
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -42.894712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.894712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.894712 (E_RNA)
where:
Base-Base interactions energy: -18.145
where: short stacking energy: -18.145
Base-Backbone interact. energy: -0.001
local terms energy: -24.748896
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.600
flat angles P-C4'-P energy: -2.077
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -38.374215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.374215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.374215 (E_RNA)
where:
Base-Base interactions energy: -11.919
where: short stacking energy: -11.298
Base-Backbone interact. energy: -0.002
local terms energy: -26.453162
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -30.516088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.516088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.516088 (E_RNA)
where:
Base-Base interactions energy: -12.331
where: short stacking energy: -12.331
Base-Backbone interact. energy: -0.028
local terms energy: -18.158024
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -0.891
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -49.024870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.024870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.024870 (E_RNA)
where:
Base-Base interactions energy: -23.270
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.000
local terms energy: -25.755079
where:
bonds (distance) C4'-P energy: -6.515
bonds (distance) P-C4' energy: -6.265
flat angles C4'-P-C4' energy: -6.748
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -47.755759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.755759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.755759 (E_RNA)
where:
Base-Base interactions energy: -18.786
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.040
local terms energy: -28.929536
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -46.737678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.737678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.737678 (E_RNA)
where:
Base-Base interactions energy: -21.396
where: short stacking energy: -21.396
Base-Backbone interact. energy: -0.003
local terms energy: -25.339396
where:
bonds (distance) C4'-P energy: -4.676
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -43.513582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.513582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.513582 (E_RNA)
where:
Base-Base interactions energy: -20.292
where: short stacking energy: -16.320
Base-Backbone interact. energy: -0.000
local terms energy: -23.220806
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -0.316
tors. eta vs tors. theta energy: -3.935
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: 234
Temperature: 1.100000
Total energy: -39.903447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.903447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.903447 (E_RNA)
where:
Base-Base interactions energy: -16.934
where: short stacking energy: -16.934
Base-Backbone interact. energy: -0.003
local terms energy: -22.967133
where:
bonds (distance) C4'-P energy: -4.349
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -38.252959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.252959 (E_RNA)
where:
Base-Base interactions energy: -16.446
where: short stacking energy: -16.446
Base-Backbone interact. energy: -0.000
local terms energy: -21.807229
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -7.272
flat angles P-C4'-P energy: -1.140
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: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -35.737841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.737841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.737841 (E_RNA)
where:
Base-Base interactions energy: -13.398
where: short stacking energy: -13.398
Base-Backbone interact. energy: -0.010
local terms energy: -22.330015
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: -1.385
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: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -37.849468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.849468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.849468 (E_RNA)
where:
Base-Base interactions energy: -15.911
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.010
local terms energy: -21.928578
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -3.804
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -34.419034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.419034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.419034 (E_RNA)
where:
Base-Base interactions energy: -12.395
where: short stacking energy: -12.271
Base-Backbone interact. energy: -0.021
local terms energy: -22.003326
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -32.164272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.164272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.164272 (E_RNA)
where:
Base-Base interactions energy: -14.275
where: short stacking energy: -13.016
Base-Backbone interact. energy: -0.001
local terms energy: -17.888608
where:
bonds (distance) C4'-P energy: -4.428
bonds (distance) P-C4' energy: -5.483
flat angles C4'-P-C4' energy: -3.234
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -50.664500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.664500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.664500 (E_RNA)
where:
Base-Base interactions energy: -20.575
where: short stacking energy: -20.575
Base-Backbone interact. energy: -0.000
local terms energy: -30.089670
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -1.825
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -42.760631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.760631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.760631 (E_RNA)
where:
Base-Base interactions energy: -16.505
where: short stacking energy: -15.591
Base-Backbone interact. energy: -0.002
local terms energy: -26.253926
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.843
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -4.591
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: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -47.483120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.483120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.483120 (E_RNA)
where:
Base-Base interactions energy: -21.197
where: short stacking energy: -17.440
Base-Backbone interact. energy: -0.004
local terms energy: -26.282325
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -40.462462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.462462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.462462 (E_RNA)
where:
Base-Base interactions energy: -16.326
where: short stacking energy: -16.326
Base-Backbone interact. energy: -0.001
local terms energy: -24.135955
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -46.817118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.817118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.817118 (E_RNA)
where:
Base-Base interactions energy: -23.816
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.100
local terms energy: -22.901462
where:
bonds (distance) C4'-P energy: -2.734
bonds (distance) P-C4' energy: -3.084
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -40.651481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.651481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.651481 (E_RNA)
where:
Base-Base interactions energy: -15.278
where: short stacking energy: -13.022
Base-Backbone interact. energy: -0.012
local terms energy: -25.361027
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -3.913
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: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -40.499899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.499899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.499899 (E_RNA)
where:
Base-Base interactions energy: -13.266
where: short stacking energy: -12.707
Base-Backbone interact. energy: -0.553
local terms energy: -26.680466
where:
bonds (distance) C4'-P energy: -5.735
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.255
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -36.623123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.623123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.623123 (E_RNA)
where:
Base-Base interactions energy: -13.688
where: short stacking energy: -13.688
Base-Backbone interact. energy: -0.136
local terms energy: -22.799805
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -2.800
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: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -39.982207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.982207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.982207 (E_RNA)
where:
Base-Base interactions energy: -17.923
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.001
local terms energy: -22.058293
where:
bonds (distance) C4'-P energy: -3.054
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -33.068487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.068487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.068487 (E_RNA)
where:
Base-Base interactions energy: -13.878
where: short stacking energy: -13.878
Base-Backbone interact. energy: -0.030
local terms energy: -19.160556
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -7.029
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -43.717731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.717731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.717731 (E_RNA)
where:
Base-Base interactions energy: -22.450
where: short stacking energy: -16.487
Base-Backbone interact. energy: -0.391
local terms energy: -20.876489
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -4.641
flat angles P-C4'-P energy: -0.066
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -45.904400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.904400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.904400 (E_RNA)
where:
Base-Base interactions energy: -18.453
where: short stacking energy: -18.453
Base-Backbone interact. energy: -0.001
local terms energy: -27.450457
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -57.340789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.340789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.340789 (E_RNA)
where:
Base-Base interactions energy: -25.669
where: short stacking energy: -25.669
Base-Backbone interact. energy: -0.000
local terms energy: -31.671294
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -41.909841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.909841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.909841 (E_RNA)
where:
Base-Base interactions energy: -15.431
where: short stacking energy: -15.431
Base-Backbone interact. energy: -0.000
local terms energy: -26.479139
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -38.195577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.195577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.195577 (E_RNA)
where:
Base-Base interactions energy: -10.355
where: short stacking energy: -9.610
Base-Backbone interact. energy: -0.047
local terms energy: -27.793609
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -39.569190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.569190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.569190 (E_RNA)
where:
Base-Base interactions energy: -16.164
where: short stacking energy: -15.874
Base-Backbone interact. energy: -0.115
local terms energy: -23.290185
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -4.333
flat angles C4'-P-C4' energy: -4.699
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -38.237767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.237767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.237767 (E_RNA)
where:
Base-Base interactions energy: -14.227
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.002
local terms energy: -24.008331
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.052
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -44.269839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.269839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.269839 (E_RNA)
where:
Base-Base interactions energy: -19.112
where: short stacking energy: -18.594
Base-Backbone interact. energy: -0.000
local terms energy: -25.157733
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -38.372601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.372601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.372601 (E_RNA)
where:
Base-Base interactions energy: -10.400
where: short stacking energy: -9.697
Base-Backbone interact. energy: -0.006
local terms energy: -27.967297
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -35.255131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.255131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.255131 (E_RNA)
where:
Base-Base interactions energy: -15.086
where: short stacking energy: -15.086
Base-Backbone interact. energy: 3.396
local terms energy: -23.565055
where:
bonds (distance) C4'-P energy: -4.349
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -49.008475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.008475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.008475 (E_RNA)
where:
Base-Base interactions energy: -21.179
where: short stacking energy: -21.179
Base-Backbone interact. energy: -0.002
local terms energy: -27.827241
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -5.065
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -50.471176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.471176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.471176 (E_RNA)
where:
Base-Base interactions energy: -23.030
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.000
local terms energy: -27.441170
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -2.822
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: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -52.256712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.256712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.256712 (E_RNA)
where:
Base-Base interactions energy: -24.368
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.000
local terms energy: -27.888802
where:
bonds (distance) C4'-P energy: -5.480
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -4.271
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: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -47.033052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.033052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.033052 (E_RNA)
where:
Base-Base interactions energy: -16.136
where: short stacking energy: -16.136
Base-Backbone interact. energy: -0.000
local terms energy: -30.896494
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -41.289735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.289735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.289735 (E_RNA)
where:
Base-Base interactions energy: -16.132
where: short stacking energy: -16.132
Base-Backbone interact. energy: -0.025
local terms energy: -25.132452
where:
bonds (distance) C4'-P energy: -5.325
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -34.908720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.908720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.908720 (E_RNA)
where:
Base-Base interactions energy: -14.019
where: short stacking energy: -12.984
Base-Backbone interact. energy: -0.251
local terms energy: -20.638964
where:
bonds (distance) C4'-P energy: -4.842
bonds (distance) P-C4' energy: -5.154
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -34.434091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.434091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.434091 (E_RNA)
where:
Base-Base interactions energy: -11.627
where: short stacking energy: -11.627
Base-Backbone interact. energy: -0.000
local terms energy: -22.806769
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -6.985
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -36.517032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.517032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.517032 (E_RNA)
where:
Base-Base interactions energy: -12.602
where: short stacking energy: -8.897
Base-Backbone interact. energy: -0.398
local terms energy: -23.517519
where:
bonds (distance) C4'-P energy: -5.086
bonds (distance) P-C4' energy: -6.529
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -2.359
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: 237
Temperature: 1.300000
Total energy: -36.217000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.217000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.217000 (E_RNA)
where:
Base-Base interactions energy: -14.024
where: short stacking energy: -10.863
Base-Backbone interact. energy: -0.020
local terms energy: -22.172673
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -35.327565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.327565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.327565 (E_RNA)
where:
Base-Base interactions energy: -15.244
where: short stacking energy: -11.718
Base-Backbone interact. energy: -0.008
local terms energy: -20.075405
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: 1.977
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -47.518782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.518782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.518782 (E_RNA)
where:
Base-Base interactions energy: -19.048
where: short stacking energy: -18.007
Base-Backbone interact. energy: -0.006
local terms energy: -28.465283
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -4.930
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -42.938947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.938947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.938947 (E_RNA)
where:
Base-Base interactions energy: -19.650
where: short stacking energy: -16.167
Base-Backbone interact. energy: -0.032
local terms energy: -23.257485
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -4.606
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: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -48.801788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.801788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.801788 (E_RNA)
where:
Base-Base interactions energy: -21.821
where: short stacking energy: -21.821
Base-Backbone interact. energy: -0.036
local terms energy: -26.945183
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.931
flat angles P-C4'-P energy: -2.914
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: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -40.253499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.253499 (E_RNA)
where:
Base-Base interactions energy: -15.591
where: short stacking energy: -14.570
Base-Backbone interact. energy: -0.000
local terms energy: -24.662763
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -1.404
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -32.602515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.602515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.602515 (E_RNA)
where:
Base-Base interactions energy: -10.366
where: short stacking energy: -10.366
Base-Backbone interact. energy: -0.040
local terms energy: -22.196679
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -37.694562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.694562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.694562 (E_RNA)
where:
Base-Base interactions energy: -10.804
where: short stacking energy: -10.804
Base-Backbone interact. energy: -0.000
local terms energy: -26.890680
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -45.461165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.461165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.461165 (E_RNA)
where:
Base-Base interactions energy: -19.905
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.532
local terms energy: -25.023886
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -4.206
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -40.417133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.417133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.417133 (E_RNA)
where:
Base-Base interactions energy: -18.817
where: short stacking energy: -17.791
Base-Backbone interact. energy: -0.059
local terms energy: -21.541894
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -3.793
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -34.619617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.619617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.619617 (E_RNA)
where:
Base-Base interactions energy: -12.517
where: short stacking energy: -12.206
Base-Backbone interact. energy: -0.044
local terms energy: -22.058754
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -5.031
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -33.398655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.398655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.398655 (E_RNA)
where:
Base-Base interactions energy: -8.199
where: short stacking energy: -8.199
Base-Backbone interact. energy: -0.459
local terms energy: -24.740023
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -49.632330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.632330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.632330 (E_RNA)
where:
Base-Base interactions energy: -23.590
where: short stacking energy: -23.590
Base-Backbone interact. energy: -0.000
local terms energy: -26.042479
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -3.569
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -4.367
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: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -52.311585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.311585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.311585 (E_RNA)
where:
Base-Base interactions energy: -25.507
where: short stacking energy: -21.179
Base-Backbone interact. energy: -0.043
local terms energy: -26.761431
where:
bonds (distance) C4'-P energy: -3.650
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -45.460043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.460043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.460043 (E_RNA)
where:
Base-Base interactions energy: -15.890
where: short stacking energy: -15.890
Base-Backbone interact. energy: -0.010
local terms energy: -29.559664
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -5.774
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -4.622
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: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -44.870468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.870468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.870468 (E_RNA)
where:
Base-Base interactions energy: -16.473
where: short stacking energy: -15.561
Base-Backbone interact. energy: -0.802
local terms energy: -27.594803
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.901
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -44.333338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.333338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.333338 (E_RNA)
where:
Base-Base interactions energy: -17.897
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.001
local terms energy: -26.435564
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.995
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -36.851102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.851102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.851102 (E_RNA)
where:
Base-Base interactions energy: -12.885
where: short stacking energy: -10.887
Base-Backbone interact. energy: -0.060
local terms energy: -23.906229
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: -4.219
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: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -36.355810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.355810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.355810 (E_RNA)
where:
Base-Base interactions energy: -17.996
where: short stacking energy: -17.996
Base-Backbone interact. energy: 0.029
local terms energy: -18.388996
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -5.259
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -1.410
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -32.480269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.480269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.480269 (E_RNA)
where:
Base-Base interactions energy: -7.875
where: short stacking energy: -7.875
Base-Backbone interact. energy: -0.001
local terms energy: -24.604023
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.203
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -35.892951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.892951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.892951 (E_RNA)
where:
Base-Base interactions energy: -11.970
where: short stacking energy: -11.970
Base-Backbone interact. energy: -0.002
local terms energy: -23.920676
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -4.774
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -32.983834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.983834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.983834 (E_RNA)
where:
Base-Base interactions energy: -7.878
where: short stacking energy: -7.878
Base-Backbone interact. energy: -0.000
local terms energy: -25.105722
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.774
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -56.685314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.685314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.685314 (E_RNA)
where:
Base-Base interactions energy: -25.898
where: short stacking energy: -25.898
Base-Backbone interact. energy: -0.000
local terms energy: -30.787748
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -5.759
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -52.010108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.010108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.010108 (E_RNA)
where:
Base-Base interactions energy: -25.260
where: short stacking energy: -25.260
Base-Backbone interact. energy: -0.000
local terms energy: -26.749589
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -44.785701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.785701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.785701 (E_RNA)
where:
Base-Base interactions energy: -18.271
where: short stacking energy: -17.368
Base-Backbone interact. energy: -0.001
local terms energy: -26.513487
where:
bonds (distance) C4'-P energy: -5.609
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.437
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -47.251861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.251861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.251861 (E_RNA)
where:
Base-Base interactions energy: -22.151
where: short stacking energy: -22.151
Base-Backbone interact. energy: -0.000
local terms energy: -25.100937
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -3.870
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -41.958028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.958028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.958028 (E_RNA)
where:
Base-Base interactions energy: -14.872
where: short stacking energy: -14.872
Base-Backbone interact. energy: -0.001
local terms energy: -27.084861
where:
bonds (distance) C4'-P energy: -6.660
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: -2.786
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: 240
Temperature: 1.150000
Total energy: -37.162216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.162216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.162216 (E_RNA)
where:
Base-Base interactions energy: -11.854
where: short stacking energy: -11.854
Base-Backbone interact. energy: -0.018
local terms energy: -25.290105
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -33.971197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.971197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.971197 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -10.543
Base-Backbone interact. energy: -0.002
local terms energy: -23.426565
where:
bonds (distance) C4'-P energy: -5.609
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.354
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -34.949501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.949501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.949501 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -11.553
Base-Backbone interact. energy: -0.016
local terms energy: -23.380812
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.517
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -3.573
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: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -33.681991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.681991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.681991 (E_RNA)
where:
Base-Base interactions energy: -11.413
where: short stacking energy: -9.025
Base-Backbone interact. energy: 0.144
local terms energy: -22.412847
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -5.188
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -2.926
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: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -34.510813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.510813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.510813 (E_RNA)
where:
Base-Base interactions energy: -12.065
where: short stacking energy: -12.065
Base-Backbone interact. energy: -0.000
local terms energy: -22.445432
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -5.053
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -48.110353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.110353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.110353 (E_RNA)
where:
Base-Base interactions energy: -22.500
where: short stacking energy: -21.892
Base-Backbone interact. energy: -0.000
local terms energy: -25.610137
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -46.866243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.866243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.866243 (E_RNA)
where:
Base-Base interactions energy: -20.953
where: short stacking energy: -20.953
Base-Backbone interact. energy: -0.000
local terms energy: -25.912684
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -6.197
flat angles C4'-P-C4' energy: -4.923
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -39.263635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.263635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.263635 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -15.548
Base-Backbone interact. energy: -0.040
local terms energy: -23.675367
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -41.095629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.095629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.095629 (E_RNA)
where:
Base-Base interactions energy: -14.930
where: short stacking energy: -14.221
Base-Backbone interact. energy: -1.014
local terms energy: -25.151114
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -5.259
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -3.718
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -40.818912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.818912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.818912 (E_RNA)
where:
Base-Base interactions energy: -16.941
where: short stacking energy: -16.941
Base-Backbone interact. energy: -0.004
local terms energy: -23.873177
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -7.012
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -47.350451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.350451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.350451 (E_RNA)
where:
Base-Base interactions energy: -19.407
where: short stacking energy: -19.407
Base-Backbone interact. energy: -0.005
local terms energy: -27.938624
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -37.315030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.315030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.315030 (E_RNA)
where:
Base-Base interactions energy: -10.056
where: short stacking energy: -10.056
Base-Backbone interact. energy: -0.098
local terms energy: -27.161292
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -4.667
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: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -32.522164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.522164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.522164 (E_RNA)
where:
Base-Base interactions energy: -14.272
where: short stacking energy: -14.272
Base-Backbone interact. energy: -0.037
local terms energy: -18.213719
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -3.814
flat angles C4'-P-C4' energy: -5.289
flat angles P-C4'-P energy: 1.887
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -30.747207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.747207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.747207 (E_RNA)
where:
Base-Base interactions energy: -13.251
where: short stacking energy: -13.251
Base-Backbone interact. energy: -0.038
local terms energy: -17.458770
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -0.398
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -29.703485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.703485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.703485 (E_RNA)
where:
Base-Base interactions energy: -6.965
where: short stacking energy: -6.965
Base-Backbone interact. energy: -0.630
local terms energy: -22.108257
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -55.659721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.659721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.659721 (E_RNA)
where:
Base-Base interactions energy: -23.275
where: short stacking energy: -23.275
Base-Backbone interact. energy: -0.000
local terms energy: -32.384619
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -4.716
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -43.934027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.934027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.934027 (E_RNA)
where:
Base-Base interactions energy: -20.164
where: short stacking energy: -16.132
Base-Backbone interact. energy: -0.070
local terms energy: -23.700321
where:
bonds (distance) C4'-P energy: -5.787
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -48.104413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.104413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.104413 (E_RNA)
where:
Base-Base interactions energy: -21.990
where: short stacking energy: -21.990
Base-Backbone interact. energy: -0.000
local terms energy: -26.114322
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -4.132
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -44.473901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.473901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.473901 (E_RNA)
where:
Base-Base interactions energy: -18.099
where: short stacking energy: -16.243
Base-Backbone interact. energy: -0.003
local terms energy: -26.371892
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.324
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -43.850618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.850618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.850618 (E_RNA)
where:
Base-Base interactions energy: -17.787
where: short stacking energy: -17.787
Base-Backbone interact. energy: -0.073
local terms energy: -25.990398
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -3.651
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: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -39.292278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.292278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.292278 (E_RNA)
where:
Base-Base interactions energy: -15.002
where: short stacking energy: -15.002
Base-Backbone interact. energy: -0.003
local terms energy: -24.286479
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -36.443560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.443560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.443560 (E_RNA)
where:
Base-Base interactions energy: -15.087
where: short stacking energy: -15.087
Base-Backbone interact. energy: -0.000
local terms energy: -21.356790
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -2.266
tors. eta vs tors. theta energy: -1.121
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: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -38.184774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.184774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.184774 (E_RNA)
where:
Base-Base interactions energy: -12.643
where: short stacking energy: -11.897
Base-Backbone interact. energy: -0.025
local terms energy: -25.517572
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -4.600
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -38.193852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.193852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.193852 (E_RNA)
where:
Base-Base interactions energy: -13.965
where: short stacking energy: -13.164
Base-Backbone interact. energy: -0.100
local terms energy: -24.128887
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -3.357
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -34.842581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.842581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.842581 (E_RNA)
where:
Base-Base interactions energy: -11.130
where: short stacking energy: -10.442
Base-Backbone interact. energy: -0.014
local terms energy: -23.698557
where:
bonds (distance) C4'-P energy: -3.773
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -4.893
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -53.108363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.108363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.108363 (E_RNA)
where:
Base-Base interactions energy: -22.133
where: short stacking energy: -21.526
Base-Backbone interact. energy: -0.004
local terms energy: -30.971258
where:
bonds (distance) C4'-P energy: -4.900
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -47.149704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.149704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.149704 (E_RNA)
where:
Base-Base interactions energy: -19.612
where: short stacking energy: -19.612
Base-Backbone interact. energy: -0.000
local terms energy: -27.537387
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.326
flat angles C4'-P-C4' energy: -4.452
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -49.205867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.205867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.205867 (E_RNA)
where:
Base-Base interactions energy: -20.431
where: short stacking energy: -19.706
Base-Backbone interact. energy: -0.000
local terms energy: -28.774989
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -47.298113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.298113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.298113 (E_RNA)
where:
Base-Base interactions energy: -20.321
where: short stacking energy: -20.321
Base-Backbone interact. energy: -0.000
local terms energy: -26.977253
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -41.724800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.724800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.724800 (E_RNA)
where:
Base-Base interactions energy: -16.621
where: short stacking energy: -16.621
Base-Backbone interact. energy: -0.000
local terms energy: -25.103075
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -5.969
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -34.169472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.169472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.169472 (E_RNA)
where:
Base-Base interactions energy: -13.037
where: short stacking energy: -11.295
Base-Backbone interact. energy: -0.105
local terms energy: -21.026700
where:
bonds (distance) C4'-P energy: -5.857
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -36.404974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.404974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.404974 (E_RNA)
where:
Base-Base interactions energy: -13.369
where: short stacking energy: -12.805
Base-Backbone interact. energy: -0.004
local terms energy: -23.031456
where:
bonds (distance) C4'-P energy: -5.004
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -1.382
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -33.821458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.821458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.821458 (E_RNA)
where:
Base-Base interactions energy: -12.403
where: short stacking energy: -12.403
Base-Backbone interact. energy: -0.000
local terms energy: -21.418352
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -3.272
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -39.144864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.144864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.144864 (E_RNA)
where:
Base-Base interactions energy: -15.395
where: short stacking energy: -15.395
Base-Backbone interact. energy: -0.000
local terms energy: -23.749068
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -2.300
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: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -29.529898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.529898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.529898 (E_RNA)
where:
Base-Base interactions energy: -9.815
where: short stacking energy: -8.830
Base-Backbone interact. energy: -0.001
local terms energy: -19.713127
where:
bonds (distance) C4'-P energy: -4.361
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -3.484
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -57.875359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.875359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.875359 (E_RNA)
where:
Base-Base interactions energy: -25.880
where: short stacking energy: -25.880
Base-Backbone interact. energy: -0.000
local terms energy: -31.995526
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -50.043347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.043347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.043347 (E_RNA)
where:
Base-Base interactions energy: -20.438
where: short stacking energy: -20.438
Base-Backbone interact. energy: -0.000
local terms energy: -29.605714
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -4.815
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -48.288130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.288130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.288130 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -19.500
Base-Backbone interact. energy: -0.158
local terms energy: -28.630333
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -39.795928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.795928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.795928 (E_RNA)
where:
Base-Base interactions energy: -15.663
where: short stacking energy: -15.260
Base-Backbone interact. energy: 0.288
local terms energy: -24.421221
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -4.922
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -45.028655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.028655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.028655 (E_RNA)
where:
Base-Base interactions energy: -15.713
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.028
local terms energy: -29.287549
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.752
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -4.542
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: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -45.295775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.295775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.295775 (E_RNA)
where:
Base-Base interactions energy: -17.042
where: short stacking energy: -17.042
Base-Backbone interact. energy: -0.000
local terms energy: -28.253901
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -5.750
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -45.089155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.089155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.089155 (E_RNA)
where:
Base-Base interactions energy: -18.525
where: short stacking energy: -18.525
Base-Backbone interact. energy: -0.004
local terms energy: -26.560852
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -4.768
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -35.625880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.625880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.625880 (E_RNA)
where:
Base-Base interactions energy: -13.376
where: short stacking energy: -13.376
Base-Backbone interact. energy: 1.453
local terms energy: -23.703562
where:
bonds (distance) C4'-P energy: -6.345
bonds (distance) P-C4' energy: -5.404
flat angles C4'-P-C4' energy: -4.616
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -2.150
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: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -34.226624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.226624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.226624 (E_RNA)
where:
Base-Base interactions energy: -12.750
where: short stacking energy: -12.750
Base-Backbone interact. energy: -0.001
local terms energy: -21.475909
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -1.629
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: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -32.531614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.531614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.531614 (E_RNA)
where:
Base-Base interactions energy: -13.909
where: short stacking energy: -13.909
Base-Backbone interact. energy: -0.072
local terms energy: -18.549863
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.410
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -52.667617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.667617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.667617 (E_RNA)
where:
Base-Base interactions energy: -24.565
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.006
local terms energy: -28.096205
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -3.847
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -54.710784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.710784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.710784 (E_RNA)
where:
Base-Base interactions energy: -22.893
where: short stacking energy: -22.056
Base-Backbone interact. energy: -0.001
local terms energy: -31.816470
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -5.774
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: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -48.305885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.305885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.305885 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -24.027
Base-Backbone interact. energy: -0.001
local terms energy: -24.278038
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -46.981313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.981313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.981313 (E_RNA)
where:
Base-Base interactions energy: -23.673
where: short stacking energy: -23.673
Base-Backbone interact. energy: -0.000
local terms energy: -23.308574
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -4.780
flat angles C4'-P-C4' energy: -6.189
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -46.260491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.260491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.260491 (E_RNA)
where:
Base-Base interactions energy: -16.959
where: short stacking energy: -18.159
Base-Backbone interact. energy: -0.004
local terms energy: -29.297400
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -6.750
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -43.235279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.235279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.235279 (E_RNA)
where:
Base-Base interactions energy: -17.606
where: short stacking energy: -17.606
Base-Backbone interact. energy: -0.000
local terms energy: -25.628317
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -35.577285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.577285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.577285 (E_RNA)
where:
Base-Base interactions energy: -12.714
where: short stacking energy: -12.714
Base-Backbone interact. energy: -0.041
local terms energy: -22.822284
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: -1.234
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -32.195440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.195440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.195440 (E_RNA)
where:
Base-Base interactions energy: -16.028
where: short stacking energy: -11.895
Base-Backbone interact. energy: -0.000
local terms energy: -16.167457
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: 1.984
tors. eta vs tors. theta energy: -1.424
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: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -34.620793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.620793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.620793 (E_RNA)
where:
Base-Base interactions energy: -11.549
where: short stacking energy: -11.549
Base-Backbone interact. energy: -0.063
local terms energy: -23.008364
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.060
flat angles C4'-P-C4' energy: -2.944
flat angles P-C4'-P energy: -5.023
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: 245
Temperature: 1.350000
Total energy: -36.670859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.670859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.670859 (E_RNA)
where:
Base-Base interactions energy: -11.160
where: short stacking energy: -11.160
Base-Backbone interact. energy: -0.051
local terms energy: -25.459738
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -60.276904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.276904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.276904 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.000
local terms energy: -32.781892
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -8.708
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: 246
Temperature: 0.950000
Total energy: -53.281479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.281479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.281479 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -21.764
Base-Backbone interact. energy: -0.000
local terms energy: -27.936216
where:
bonds (distance) C4'-P energy: -4.130
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -56.177466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.177466 (E_RNA)
where:
Base-Base interactions energy: -26.218
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.000
local terms energy: -29.959655
where:
bonds (distance) C4'-P energy: -4.410
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -52.599755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.599755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.599755 (E_RNA)
where:
Base-Base interactions energy: -23.798
where: short stacking energy: -19.709
Base-Backbone interact. energy: -0.019
local terms energy: -28.782621
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -5.280
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: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -37.855986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.855986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.855986 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -13.114
Base-Backbone interact. energy: -0.007
local terms energy: -24.242996
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -1.623
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -36.032099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.032099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.032099 (E_RNA)
where:
Base-Base interactions energy: -9.437
where: short stacking energy: -9.334
Base-Backbone interact. energy: 0.581
local terms energy: -27.176065
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -5.799
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -35.675158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.675158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.675158 (E_RNA)
where:
Base-Base interactions energy: -13.956
where: short stacking energy: -13.956
Base-Backbone interact. energy: -0.400
local terms energy: -21.319020
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -31.145667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.145667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.145667 (E_RNA)
where:
Base-Base interactions energy: -7.819
where: short stacking energy: -7.819
Base-Backbone interact. energy: -0.073
local terms energy: -23.254328
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -38.431736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.431736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.431736 (E_RNA)
where:
Base-Base interactions energy: -17.029
where: short stacking energy: -17.029
Base-Backbone interact. energy: 2.246
local terms energy: -23.649345
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -5.559
flat angles P-C4'-P energy: -1.480
tors. eta vs tors. theta energy: -3.861
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -31.535025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.535025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.535025 (E_RNA)
where:
Base-Base interactions energy: -12.693
where: short stacking energy: -12.693
Base-Backbone interact. energy: -0.057
local terms energy: -18.784621
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -50.412366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.412366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.412366 (E_RNA)
where:
Base-Base interactions energy: -20.229
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.095
local terms energy: -30.088626
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -46.078220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.078220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.078220 (E_RNA)
where:
Base-Base interactions energy: -20.811
where: short stacking energy: -18.491
Base-Backbone interact. energy: 1.283
local terms energy: -26.549660
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -5.008
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: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -44.619979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.619979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.619979 (E_RNA)
where:
Base-Base interactions energy: -16.978
where: short stacking energy: -15.635
Base-Backbone interact. energy: -0.101
local terms energy: -27.541589
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.240
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -41.436283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.436283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.436283 (E_RNA)
where:
Base-Base interactions energy: -16.046
where: short stacking energy: -16.046
Base-Backbone interact. energy: -0.000
local terms energy: -25.390631
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -4.675
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: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -36.921820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.921820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.921820 (E_RNA)
where:
Base-Base interactions energy: -12.736
where: short stacking energy: -12.736
Base-Backbone interact. energy: -0.000
local terms energy: -24.185297
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -41.495784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.495784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.495784 (E_RNA)
where:
Base-Base interactions energy: -14.149
where: short stacking energy: -13.952
Base-Backbone interact. energy: -0.008
local terms energy: -27.339319
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.711
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -33.311487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.311487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.311487 (E_RNA)
where:
Base-Base interactions energy: -12.041
where: short stacking energy: -12.041
Base-Backbone interact. energy: -0.031
local terms energy: -21.239391
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: 0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -37.998548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.998548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.998548 (E_RNA)
where:
Base-Base interactions energy: -16.050
where: short stacking energy: -14.153
Base-Backbone interact. energy: -0.050
local terms energy: -21.898675
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -2.074
flat angles C4'-P-C4' energy: -6.653
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -30.957808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.957808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.957808 (E_RNA)
where:
Base-Base interactions energy: -10.383
where: short stacking energy: -10.383
Base-Backbone interact. energy: -0.018
local terms energy: -20.556951
where:
bonds (distance) C4'-P energy: -3.495
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -37.548750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.548750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.548750 (E_RNA)
where:
Base-Base interactions energy: -13.327
where: short stacking energy: -10.906
Base-Backbone interact. energy: -0.156
local terms energy: -24.065383
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -58.086590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.086590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.086590 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -27.463
Base-Backbone interact. energy: -0.000
local terms energy: -30.623606
where:
bonds (distance) C4'-P energy: -6.596
bonds (distance) P-C4' energy: -4.437
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -3.604
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: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -44.735346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.735346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.735346 (E_RNA)
where:
Base-Base interactions energy: -21.460
where: short stacking energy: -15.583
Base-Backbone interact. energy: -0.088
local terms energy: -23.187075
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -39.917276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.917276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.917276 (E_RNA)
where:
Base-Base interactions energy: -14.936
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.008
local terms energy: -24.973271
where:
bonds (distance) C4'-P energy: -1.920
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.209
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -36.406416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.406416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.406416 (E_RNA)
where:
Base-Base interactions energy: -10.782
where: short stacking energy: -10.356
Base-Backbone interact. energy: -0.151
local terms energy: -25.473760
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: -6.269
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: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -42.929369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.929369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.929369 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -17.570
Base-Backbone interact. energy: -0.015
local terms energy: -25.344253
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -4.694
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -44.406273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.406273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.406273 (E_RNA)
where:
Base-Base interactions energy: -21.633
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.007
local terms energy: -22.765538
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -5.170
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -38.128962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.128962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.128962 (E_RNA)
where:
Base-Base interactions energy: -14.135
where: short stacking energy: -14.135
Base-Backbone interact. energy: -0.001
local terms energy: -23.993868
where:
bonds (distance) C4'-P energy: -4.216
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -35.631808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.631808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.631808 (E_RNA)
where:
Base-Base interactions energy: -12.129
where: short stacking energy: -12.129
Base-Backbone interact. energy: -0.087
local terms energy: -23.415929
where:
bonds (distance) C4'-P energy: -3.417
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.912
flat angles P-C4'-P energy: -4.171
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -34.557465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.557465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.557465 (E_RNA)
where:
Base-Base interactions energy: -10.269
where: short stacking energy: -10.269
Base-Backbone interact. energy: -0.040
local terms energy: -24.247860
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -32.860973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.860973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.860973 (E_RNA)
where:
Base-Base interactions energy: -9.876
where: short stacking energy: -9.876
Base-Backbone interact. energy: -0.001
local terms energy: -22.983626
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -5.239
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -0.673
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: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -54.144779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.144779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.144779 (E_RNA)
where:
Base-Base interactions energy: -22.911
where: short stacking energy: -22.859
Base-Backbone interact. energy: -0.000
local terms energy: -31.234113
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -41.199557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.199557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.199557 (E_RNA)
where:
Base-Base interactions energy: -14.811
where: short stacking energy: -14.076
Base-Backbone interact. energy: -0.722
local terms energy: -25.666595
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -44.710293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.710293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.710293 (E_RNA)
where:
Base-Base interactions energy: -16.200
where: short stacking energy: -16.200
Base-Backbone interact. energy: -0.102
local terms energy: -28.408133
where:
bonds (distance) C4'-P energy: -4.721
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -41.452006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.452006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.452006 (E_RNA)
where:
Base-Base interactions energy: -12.190
where: short stacking energy: -12.190
Base-Backbone interact. energy: -0.003
local terms energy: -29.258837
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -5.533
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: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -43.497896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.497896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.497896 (E_RNA)
where:
Base-Base interactions energy: -18.868
where: short stacking energy: -14.085
Base-Backbone interact. energy: -0.001
local terms energy: -24.628079
where:
bonds (distance) C4'-P energy: -3.736
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.605
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -40.052395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.052395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.052395 (E_RNA)
where:
Base-Base interactions energy: -14.661
where: short stacking energy: -14.661
Base-Backbone interact. energy: -0.095
local terms energy: -25.296421
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.023
flat angles C4'-P-C4' energy: -5.010
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -3.177
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: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -36.360760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.360760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.360760 (E_RNA)
where:
Base-Base interactions energy: -10.100
where: short stacking energy: -10.100
Base-Backbone interact. energy: -0.101
local terms energy: -26.159168
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -37.822637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.822637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.822637 (E_RNA)
where:
Base-Base interactions energy: -12.532
where: short stacking energy: -12.532
Base-Backbone interact. energy: -0.004
local terms energy: -25.286789
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -41.315700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.315700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.315700 (E_RNA)
where:
Base-Base interactions energy: -15.516
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.008
local terms energy: -25.791370
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -37.677014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.677014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.677014 (E_RNA)
where:
Base-Base interactions energy: -12.670
where: short stacking energy: -12.670
Base-Backbone interact. energy: -0.001
local terms energy: -25.006442
where:
bonds (distance) C4'-P energy: -4.929
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -47.666741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.666741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.666741 (E_RNA)
where:
Base-Base interactions energy: -18.398
where: short stacking energy: -18.398
Base-Backbone interact. energy: -0.000
local terms energy: -29.268843
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -5.201
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: 250
Temperature: 0.950000
Total energy: -47.615496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.615496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.615496 (E_RNA)
where:
Base-Base interactions energy: -19.750
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.000
local terms energy: -27.865223
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -1.666
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: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -52.833518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.833518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.833518 (E_RNA)
where:
Base-Base interactions energy: -24.502
where: short stacking energy: -21.254
Base-Backbone interact. energy: -0.062
local terms energy: -28.268674
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -6.152
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -3.957
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: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -43.700626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.700626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.700626 (E_RNA)
where:
Base-Base interactions energy: -18.255
where: short stacking energy: -16.584
Base-Backbone interact. energy: -0.022
local terms energy: -25.423631
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -3.672
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: 5, replica: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -40.802234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.802234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.802234 (E_RNA)
where:
Base-Base interactions energy: -19.977
where: short stacking energy: -14.038
Base-Backbone interact. energy: -0.012
local terms energy: -20.813165
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -2.765
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -43.444047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.444047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.444047 (E_RNA)
where:
Base-Base interactions energy: -21.720
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.002
local terms energy: -21.722422
where:
bonds (distance) C4'-P energy: -4.253
bonds (distance) P-C4' energy: -3.631
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -34.940080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.940080 (E_RNA)
where:
Base-Base interactions energy: -15.413
where: short stacking energy: -12.270
Base-Backbone interact. energy: -0.029
local terms energy: -19.498305
where:
bonds (distance) C4'-P energy: -5.041
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -37.713599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.713599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.713599 (E_RNA)
where:
Base-Base interactions energy: -16.836
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.511
local terms energy: -20.366738
where:
bonds (distance) C4'-P energy: -4.274
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -1.315
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -38.176534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.176534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.176534 (E_RNA)
where:
Base-Base interactions energy: -12.638
where: short stacking energy: -12.638
Base-Backbone interact. energy: -0.015
local terms energy: -25.523880
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -32.509123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.509123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.509123 (E_RNA)
where:
Base-Base interactions energy: -9.926
where: short stacking energy: -9.926
Base-Backbone interact. energy: -0.149
local terms energy: -22.434103
where:
bonds (distance) C4'-P energy: -2.425
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.330
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -49.230776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.230776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.230776 (E_RNA)
where:
Base-Base interactions energy: -21.185
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.000
local terms energy: -28.046026
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -7.002
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -49.326188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.326188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.326188 (E_RNA)
where:
Base-Base interactions energy: -23.098
where: short stacking energy: -21.235
Base-Backbone interact. energy: -0.599
local terms energy: -25.629568
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -3.951
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -44.045341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.045341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.045341 (E_RNA)
where:
Base-Base interactions energy: -19.510
where: short stacking energy: -16.777
Base-Backbone interact. energy: -0.001
local terms energy: -24.534531
where:
bonds (distance) C4'-P energy: -4.586
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.661
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -53.370322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.370322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.370322 (E_RNA)
where:
Base-Base interactions energy: -24.229
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.000
local terms energy: -29.141556
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -5.308
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -41.381069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.381069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.381069 (E_RNA)
where:
Base-Base interactions energy: -21.507
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.036
local terms energy: -19.837716
where:
bonds (distance) C4'-P energy: -1.931
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -41.480881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.480881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.480881 (E_RNA)
where:
Base-Base interactions energy: -16.043
where: short stacking energy: -16.043
Base-Backbone interact. energy: -0.095
local terms energy: -25.342772
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -37.510389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.510389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.510389 (E_RNA)
where:
Base-Base interactions energy: -12.641
where: short stacking energy: -9.472
Base-Backbone interact. energy: -0.087
local terms energy: -24.782404
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -4.818
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -40.430667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.430667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.430667 (E_RNA)
where:
Base-Base interactions energy: -13.518
where: short stacking energy: -11.055
Base-Backbone interact. energy: -0.096
local terms energy: -26.816223
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.539
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -35.500529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.500529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.500529 (E_RNA)
where:
Base-Base interactions energy: -14.009
where: short stacking energy: -13.178
Base-Backbone interact. energy: -0.000
local terms energy: -21.491054
where:
bonds (distance) C4'-P energy: -4.722
bonds (distance) P-C4' energy: -5.013
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -30.854585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.854585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.854585 (E_RNA)
where:
Base-Base interactions energy: -9.982
where: short stacking energy: -9.982
Base-Backbone interact. energy: -0.069
local terms energy: -20.803468
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -4.744
flat angles C4'-P-C4' energy: -5.313
flat angles P-C4'-P energy: -1.755
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -62.367691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.367691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.367691 (E_RNA)
where:
Base-Base interactions energy: -27.680
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.000
local terms energy: -34.687337
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -9.323
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: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -51.724844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.724844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.724844 (E_RNA)
where:
Base-Base interactions energy: -24.495
where: short stacking energy: -24.495
Base-Backbone interact. energy: -0.003
local terms energy: -27.226039
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -3.954
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -5.521
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: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -50.872589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.872589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.872589 (E_RNA)
where:
Base-Base interactions energy: -23.174
where: short stacking energy: -21.176
Base-Backbone interact. energy: -0.002
local terms energy: -27.696994
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -44.201677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.201677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.201677 (E_RNA)
where:
Base-Base interactions energy: -20.966
where: short stacking energy: -15.192
Base-Backbone interact. energy: -0.000
local terms energy: -23.235226
where:
bonds (distance) C4'-P energy: -4.051
bonds (distance) P-C4' energy: -3.722
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -42.357300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.357300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.357300 (E_RNA)
where:
Base-Base interactions energy: -19.011
where: short stacking energy: -19.730
Base-Backbone interact. energy: -0.006
local terms energy: -23.340539
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -41.130258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.130258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.130258 (E_RNA)
where:
Base-Base interactions energy: -16.139
where: short stacking energy: -16.139
Base-Backbone interact. energy: -0.091
local terms energy: -24.901053
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -41.486739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.486739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.486739 (E_RNA)
where:
Base-Base interactions energy: -15.118
where: short stacking energy: -14.062
Base-Backbone interact. energy: -0.046
local terms energy: -26.322562
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.383
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -34.586317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.586317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.586317 (E_RNA)
where:
Base-Base interactions energy: -9.562
where: short stacking energy: -4.895
Base-Backbone interact. energy: -0.111
local terms energy: -24.913328
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -4.639
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: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -38.604384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.604384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.604384 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -9.131
Base-Backbone interact. energy: -0.102
local terms energy: -24.026815
where:
bonds (distance) C4'-P energy: -4.485
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -32.690697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.690697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.690697 (E_RNA)
where:
Base-Base interactions energy: -8.576
where: short stacking energy: -8.576
Base-Backbone interact. energy: -0.006
local terms energy: -24.109309
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -56.427773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.427773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.427773 (E_RNA)
where:
Base-Base interactions energy: -23.632
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.000
local terms energy: -32.796133
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -47.025331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.025331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.025331 (E_RNA)
where:
Base-Base interactions energy: -18.995
where: short stacking energy: -18.995
Base-Backbone interact. energy: -0.000
local terms energy: -28.030728
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -4.546
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: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -44.382441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.382441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.382441 (E_RNA)
where:
Base-Base interactions energy: -17.436
where: short stacking energy: -17.436
Base-Backbone interact. energy: -0.025
local terms energy: -26.922166
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -2.917
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: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -45.961172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.961172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.961172 (E_RNA)
where:
Base-Base interactions energy: -18.825
where: short stacking energy: -18.825
Base-Backbone interact. energy: -0.000
local terms energy: -27.135738
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -5.309
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -37.013718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.013718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.013718 (E_RNA)
where:
Base-Base interactions energy: -14.472
where: short stacking energy: -14.472
Base-Backbone interact. energy: -0.002
local terms energy: -22.538983
where:
bonds (distance) C4'-P energy: -5.052
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.288
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -4.416
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: 253
Temperature: 1.150000
Total energy: -37.364029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.364029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.364029 (E_RNA)
where:
Base-Base interactions energy: -16.163
where: short stacking energy: -16.163
Base-Backbone interact. energy: -0.055
local terms energy: -21.145911
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -3.082
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: -4.476
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: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -40.513146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.513146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.513146 (E_RNA)
where:
Base-Base interactions energy: -16.169
where: short stacking energy: -15.646
Base-Backbone interact. energy: 0.042
local terms energy: -24.385955
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -3.466
flat angles C4'-P-C4' energy: -5.346
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -36.632488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.632488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.632488 (E_RNA)
where:
Base-Base interactions energy: -9.585
where: short stacking energy: -9.585
Base-Backbone interact. energy: -0.031
local terms energy: -27.016936
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -4.895
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: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -39.478112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.478112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.478112 (E_RNA)
where:
Base-Base interactions energy: -14.614
where: short stacking energy: -14.614
Base-Backbone interact. energy: -0.000
local terms energy: -24.863868
where:
bonds (distance) C4'-P energy: -5.873
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -32.100390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.100390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.100390 (E_RNA)
where:
Base-Base interactions energy: -11.379
where: short stacking energy: -11.379
Base-Backbone interact. energy: -0.000
local terms energy: -20.721558
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.648
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -54.951397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.951397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.951397 (E_RNA)
where:
Base-Base interactions energy: -24.290
where: short stacking energy: -24.290
Base-Backbone interact. energy: -0.000
local terms energy: -30.661271
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -49.743671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.743671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.743671 (E_RNA)
where:
Base-Base interactions energy: -24.034
where: short stacking energy: -24.034
Base-Backbone interact. energy: -0.021
local terms energy: -25.689260
where:
bonds (distance) C4'-P energy: -5.155
bonds (distance) P-C4' energy: -5.557
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -51.013551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.013551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.013551 (E_RNA)
where:
Base-Base interactions energy: -23.124
where: short stacking energy: -23.124
Base-Backbone interact. energy: -0.122
local terms energy: -27.767410
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -50.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.028937 (E_RNA)
where:
Base-Base interactions energy: -20.175
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.051
local terms energy: -29.802931
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -6.472
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -42.326399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.326399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.326399 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.000
local terms energy: -24.927188
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -6.222
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -38.020871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.020871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.020871 (E_RNA)
where:
Base-Base interactions energy: -14.403
where: short stacking energy: -14.403
Base-Backbone interact. energy: -0.012
local terms energy: -23.605923
where:
bonds (distance) C4'-P energy: -3.816
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.929
flat angles P-C4'-P energy: -4.063
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: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -33.460578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.460578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.460578 (E_RNA)
where:
Base-Base interactions energy: -13.784
where: short stacking energy: -13.784
Base-Backbone interact. energy: -0.082
local terms energy: -19.595234
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -6.010
flat angles C4'-P-C4' energy: -6.517
flat angles P-C4'-P energy: -1.615
tors. eta vs tors. theta energy: 0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -32.098781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.098781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.098781 (E_RNA)
where:
Base-Base interactions energy: -11.803
where: short stacking energy: -11.550
Base-Backbone interact. energy: -0.000
local terms energy: -20.295062
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -4.376
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -1.026
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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -31.429673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.429673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.429673 (E_RNA)
where:
Base-Base interactions energy: -8.011
where: short stacking energy: -8.011
Base-Backbone interact. energy: -0.003
local terms energy: -23.415665
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -35.626338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.626338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.626338 (E_RNA)
where:
Base-Base interactions energy: -16.355
where: short stacking energy: -14.410
Base-Backbone interact. energy: -0.001
local terms energy: -19.269648
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -2.547
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -59.319481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.319481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.319481 (E_RNA)
where:
Base-Base interactions energy: -27.197
where: short stacking energy: -27.197
Base-Backbone interact. energy: -0.681
local terms energy: -31.441149
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -8.354
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -45.490267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.490267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.490267 (E_RNA)
where:
Base-Base interactions energy: -21.396
where: short stacking energy: -21.396
Base-Backbone interact. energy: -0.090
local terms energy: -24.004299
where:
bonds (distance) C4'-P energy: -3.024
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -47.220433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.220433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.220433 (E_RNA)
where:
Base-Base interactions energy: -23.971
where: short stacking energy: -15.472
Base-Backbone interact. energy: -0.004
local terms energy: -23.245215
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -0.507
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -39.412040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.412040 (E_RNA)
where:
Base-Base interactions energy: -15.879
where: short stacking energy: -15.879
Base-Backbone interact. energy: -0.000
local terms energy: -23.532555
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -4.349
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -40.470666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.470666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.470666 (E_RNA)
where:
Base-Base interactions energy: -13.904
where: short stacking energy: -13.904
Base-Backbone interact. energy: -0.048
local terms energy: -26.519207
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -44.059021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.059021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.059021 (E_RNA)
where:
Base-Base interactions energy: -20.334
where: short stacking energy: -20.334
Base-Backbone interact. energy: -0.000
local terms energy: -23.725399
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -4.393
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -1.851
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: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -34.808130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.808130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.808130 (E_RNA)
where:
Base-Base interactions energy: -13.658
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.164
local terms energy: -20.985794
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -0.015
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -40.080145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.080145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.080145 (E_RNA)
where:
Base-Base interactions energy: -16.702
where: short stacking energy: -16.702
Base-Backbone interact. energy: -0.001
local terms energy: -23.377244
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -3.166
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -41.273769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.273769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.273769 (E_RNA)
where:
Base-Base interactions energy: -15.530
where: short stacking energy: -15.530
Base-Backbone interact. energy: -0.002
local terms energy: -25.741257
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -32.291515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.291515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.291515 (E_RNA)
where:
Base-Base interactions energy: -10.613
where: short stacking energy: -10.225
Base-Backbone interact. energy: -0.340
local terms energy: -21.337991
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -1.738
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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -53.462056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.462056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.462056 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.000
local terms energy: -28.611902
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -5.908
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -42.550368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.550368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.550368 (E_RNA)
where:
Base-Base interactions energy: -14.469
where: short stacking energy: -14.469
Base-Backbone interact. energy: -0.056
local terms energy: -28.025501
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -47.517594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.517594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.517594 (E_RNA)
where:
Base-Base interactions energy: -20.405
where: short stacking energy: -20.405
Base-Backbone interact. energy: -0.000
local terms energy: -27.112873
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -5.738
flat angles C4'-P-C4' energy: -4.087
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -47.652728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.652728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.652728 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -18.339
Base-Backbone interact. energy: -0.001
local terms energy: -24.540006
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -40.891974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.891974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.891974 (E_RNA)
where:
Base-Base interactions energy: -14.934
where: short stacking energy: -14.934
Base-Backbone interact. energy: -0.004
local terms energy: -25.954125
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -39.871034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.871034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.871034 (E_RNA)
where:
Base-Base interactions energy: -15.379
where: short stacking energy: -15.379
Base-Backbone interact. energy: -0.101
local terms energy: -24.391744
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -0.565
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -37.949065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.949065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.949065 (E_RNA)
where:
Base-Base interactions energy: -12.104
where: short stacking energy: -12.104
Base-Backbone interact. energy: -0.186
local terms energy: -25.658666
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.875
flat angles P-C4'-P energy: -4.844
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -34.480960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.480960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.480960 (E_RNA)
where:
Base-Base interactions energy: -10.154
where: short stacking energy: -10.154
Base-Backbone interact. energy: -0.009
local terms energy: -24.318459
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -38.442841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.442841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.442841 (E_RNA)
where:
Base-Base interactions energy: -14.251
where: short stacking energy: -14.251
Base-Backbone interact. energy: -0.001
local terms energy: -24.191021
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -35.281238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.281238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.281238 (E_RNA)
where:
Base-Base interactions energy: -12.852
where: short stacking energy: -12.073
Base-Backbone interact. energy: -0.050
local terms energy: -22.378838
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.786
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.735
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -53.979231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.979231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.979231 (E_RNA)
where:
Base-Base interactions energy: -23.046
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.000
local terms energy: -30.933423
where:
bonds (distance) C4'-P energy: -6.291
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.162
flat angles P-C4'-P energy: -5.796
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: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -50.404592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.404592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.404592 (E_RNA)
where:
Base-Base interactions energy: -25.062
where: short stacking energy: -17.551
Base-Backbone interact. energy: -0.010
local terms energy: -25.332854
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.731
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -48.177745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.177745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.177745 (E_RNA)
where:
Base-Base interactions energy: -18.786
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.019
local terms energy: -29.373541
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -4.999
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -44.827639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.827639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.827639 (E_RNA)
where:
Base-Base interactions energy: -19.169
where: short stacking energy: -19.060
Base-Backbone interact. energy: -0.003
local terms energy: -25.655794
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.732
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -2.955
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: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -42.426177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.426177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.426177 (E_RNA)
where:
Base-Base interactions energy: -16.990
where: short stacking energy: -16.990
Base-Backbone interact. energy: -0.729
local terms energy: -24.706563
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.270
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -4.045
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: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -48.850599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.850599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.850599 (E_RNA)
where:
Base-Base interactions energy: -20.161
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.002
local terms energy: -28.688157
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.449
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -41.284697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.284697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.284697 (E_RNA)
where:
Base-Base interactions energy: -18.834
where: short stacking energy: -17.991
Base-Backbone interact. energy: -0.080
local terms energy: -22.370181
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -3.211
flat angles P-C4'-P energy: -1.946
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -42.337908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.337908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.337908 (E_RNA)
where:
Base-Base interactions energy: -14.633
where: short stacking energy: -14.633
Base-Backbone interact. energy: -0.011
local terms energy: -27.694038
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.308
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -36.745545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.745545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.745545 (E_RNA)
where:
Base-Base interactions energy: -11.387
where: short stacking energy: -11.387
Base-Backbone interact. energy: -0.326
local terms energy: -25.032717
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -34.278188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.278188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.278188 (E_RNA)
where:
Base-Base interactions energy: -13.417
where: short stacking energy: -13.417
Base-Backbone interact. energy: -0.177
local terms energy: -20.684391
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -1.668
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -48.373646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.373646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.373646 (E_RNA)
where:
Base-Base interactions energy: -19.146
where: short stacking energy: -19.146
Base-Backbone interact. energy: -0.004
local terms energy: -29.223426
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -54.963420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.963420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.963420 (E_RNA)
where:
Base-Base interactions energy: -22.835
where: short stacking energy: -22.835
Base-Backbone interact. energy: -0.033
local terms energy: -32.095254
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -5.649
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -51.978014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.978014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.978014 (E_RNA)
where:
Base-Base interactions energy: -22.264
where: short stacking energy: -22.264
Base-Backbone interact. energy: -0.000
local terms energy: -29.713766
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.551
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -38.416504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.416504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.416504 (E_RNA)
where:
Base-Base interactions energy: -14.627
where: short stacking energy: -14.627
Base-Backbone interact. energy: -0.000
local terms energy: -23.789208
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -7.324
flat angles P-C4'-P energy: -1.045
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -47.315815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.315815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.315815 (E_RNA)
where:
Base-Base interactions energy: -19.556
where: short stacking energy: -18.981
Base-Backbone interact. energy: -0.012
local terms energy: -27.747253
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -47.909799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.909799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.909799 (E_RNA)
where:
Base-Base interactions energy: -20.425
where: short stacking energy: -20.425
Base-Backbone interact. energy: -0.001
local terms energy: -27.484215
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -36.558449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.558449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.558449 (E_RNA)
where:
Base-Base interactions energy: -13.840
where: short stacking energy: -13.840
Base-Backbone interact. energy: -0.090
local terms energy: -22.628242
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -5.625
flat angles C4'-P-C4' energy: -3.747
flat angles P-C4'-P energy: -2.623
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: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -38.119757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.119757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.119757 (E_RNA)
where:
Base-Base interactions energy: -16.196
where: short stacking energy: -16.196
Base-Backbone interact. energy: -0.000
local terms energy: -21.923464
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -3.820
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -2.344
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: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -30.810077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.810077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.810077 (E_RNA)
where:
Base-Base interactions energy: -11.541
where: short stacking energy: -11.541
Base-Backbone interact. energy: -0.001
local terms energy: -19.268074
where:
bonds (distance) C4'-P energy: -4.137
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -1.928
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -31.481040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.481040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.481040 (E_RNA)
where:
Base-Base interactions energy: -9.512
where: short stacking energy: -9.512
Base-Backbone interact. energy: -0.000
local terms energy: -21.968358
where:
bonds (distance) C4'-P energy: -4.130
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -55.880812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.880812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.880812 (E_RNA)
where:
Base-Base interactions energy: -25.342
where: short stacking energy: -25.342
Base-Backbone interact. energy: -0.001
local terms energy: -30.538451
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.933
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -45.639515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.639515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.639515 (E_RNA)
where:
Base-Base interactions energy: -21.449
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.049
local terms energy: -24.142117
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -47.515004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.515004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.515004 (E_RNA)
where:
Base-Base interactions energy: -17.904
where: short stacking energy: -17.904
Base-Backbone interact. energy: -0.000
local terms energy: -29.610407
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -5.942
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -51.208884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.208884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.208884 (E_RNA)
where:
Base-Base interactions energy: -21.883
where: short stacking energy: -19.721
Base-Backbone interact. energy: -0.000
local terms energy: -29.325488
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -4.506
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -43.732455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.732455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.732455 (E_RNA)
where:
Base-Base interactions energy: -16.758
where: short stacking energy: -16.758
Base-Backbone interact. energy: -0.128
local terms energy: -26.846857
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -2.831
tors. eta vs tors. theta energy: -4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -43.720634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.720634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.720634 (E_RNA)
where:
Base-Base interactions energy: -18.570
where: short stacking energy: -18.570
Base-Backbone interact. energy: -0.015
local terms energy: -25.135332
where:
bonds (distance) C4'-P energy: -4.838
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.122
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -3.165
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: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -38.031457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.031457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.031457 (E_RNA)
where:
Base-Base interactions energy: -15.338
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.093
local terms energy: -22.600263
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: 1.843
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -36.103085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.103085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.103085 (E_RNA)
where:
Base-Base interactions energy: -15.151
where: short stacking energy: -14.801
Base-Backbone interact. energy: -0.002
local terms energy: -20.950464
where:
bonds (distance) C4'-P energy: -3.798
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -6.160
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -37.396703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.396703 (E_RNA)
where:
Base-Base interactions energy: -12.070
where: short stacking energy: -10.970
Base-Backbone interact. energy: -0.570
local terms energy: -24.757078
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.691
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -34.540157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.540157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.540157 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.003
local terms energy: -24.895092
where:
bonds (distance) C4'-P energy: -4.635
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -52.342686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.342686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.342686 (E_RNA)
where:
Base-Base interactions energy: -23.543
where: short stacking energy: -23.543
Base-Backbone interact. energy: -0.000
local terms energy: -28.798980
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -54.629374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.629374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.629374 (E_RNA)
where:
Base-Base interactions energy: -23.969
where: short stacking energy: -23.969
Base-Backbone interact. energy: -0.001
local terms energy: -30.658775
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -42.965441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.965441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.965441 (E_RNA)
where:
Base-Base interactions energy: -16.663
where: short stacking energy: -16.663
Base-Backbone interact. energy: -0.002
local terms energy: -26.300347
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.998
flat angles C4'-P-C4' energy: -3.338
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -37.331964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.331964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.331964 (E_RNA)
where:
Base-Base interactions energy: -13.081
where: short stacking energy: -13.081
Base-Backbone interact. energy: -0.008
local terms energy: -24.242455
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -4.734
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -50.090153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.090153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.090153 (E_RNA)
where:
Base-Base interactions energy: -21.303
where: short stacking energy: -19.561
Base-Backbone interact. energy: -0.352
local terms energy: -28.435320
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -6.473
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -37.022841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.022841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.022841 (E_RNA)
where:
Base-Base interactions energy: -13.426
where: short stacking energy: -13.426
Base-Backbone interact. energy: -0.000
local terms energy: -23.596856
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -5.984
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -47.334474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.334474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.334474 (E_RNA)
where:
Base-Base interactions energy: -23.500
where: short stacking energy: -23.250
Base-Backbone interact. energy: -0.000
local terms energy: -23.833807
where:
bonds (distance) C4'-P energy: -5.222
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.013
flat angles P-C4'-P energy: -2.176
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -37.335041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.335041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.335041 (E_RNA)
where:
Base-Base interactions energy: -12.529
where: short stacking energy: -12.529
Base-Backbone interact. energy: -0.013
local terms energy: -24.792656
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.978
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -37.513248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.513248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.513248 (E_RNA)
where:
Base-Base interactions energy: -16.319
where: short stacking energy: -16.319
Base-Backbone interact. energy: 0.144
local terms energy: -21.338328
where:
bonds (distance) C4'-P energy: -3.959
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.011
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -44.126846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.126846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.126846 (E_RNA)
where:
Base-Base interactions energy: -18.052
where: short stacking energy: -18.052
Base-Backbone interact. energy: -0.000
local terms energy: -26.074287
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -56.014920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.014920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.014920 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -24.625
Base-Backbone interact. energy: -0.004
local terms energy: -31.386872
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -47.099441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.099441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.099441 (E_RNA)
where:
Base-Base interactions energy: -18.949
where: short stacking energy: -18.280
Base-Backbone interact. energy: -0.053
local terms energy: -28.097147
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -5.771
flat angles P-C4'-P energy: -6.196
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: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -46.356338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.356338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.356338 (E_RNA)
where:
Base-Base interactions energy: -19.712
where: short stacking energy: -17.886
Base-Backbone interact. energy: -0.001
local terms energy: -26.643687
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -40.908357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.908357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.908357 (E_RNA)
where:
Base-Base interactions energy: -13.895
where: short stacking energy: -13.895
Base-Backbone interact. energy: -0.001
local terms energy: -27.012854
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -5.526
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -47.847417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.847417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.847417 (E_RNA)
where:
Base-Base interactions energy: -20.910
where: short stacking energy: -18.274
Base-Backbone interact. energy: -0.059
local terms energy: -26.878660
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -2.608
tors. eta vs tors. theta energy: -6.247
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -38.686613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.686613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.686613 (E_RNA)
where:
Base-Base interactions energy: -13.219
where: short stacking energy: -13.219
Base-Backbone interact. energy: -0.011
local terms energy: -25.456805
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.229
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -41.498204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.498204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.498204 (E_RNA)
where:
Base-Base interactions energy: -17.674
where: short stacking energy: -17.674
Base-Backbone interact. energy: -0.000
local terms energy: -23.824164
where:
bonds (distance) C4'-P energy: -4.615
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -5.358
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -45.187425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.187425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.187425 (E_RNA)
where:
Base-Base interactions energy: -18.668
where: short stacking energy: -18.668
Base-Backbone interact. energy: -0.015
local terms energy: -26.505098
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -36.930260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.930260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.930260 (E_RNA)
where:
Base-Base interactions energy: -16.618
where: short stacking energy: -15.922
Base-Backbone interact. energy: -0.154
local terms energy: -20.158186
where:
bonds (distance) C4'-P energy: -2.268
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -5.123
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: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -34.139137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.139137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.139137 (E_RNA)
where:
Base-Base interactions energy: -14.314
where: short stacking energy: -14.314
Base-Backbone interact. energy: -0.000
local terms energy: -19.824835
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -4.376
flat angles C4'-P-C4' energy: -4.590
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -51.485414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.485414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.485414 (E_RNA)
where:
Base-Base interactions energy: -25.963
where: short stacking energy: -25.963
Base-Backbone interact. energy: -0.016
local terms energy: -25.505815
where:
bonds (distance) C4'-P energy: -2.200
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.426
flat angles P-C4'-P energy: -3.766
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: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -43.884776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.884776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.884776 (E_RNA)
where:
Base-Base interactions energy: -17.819
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.004
local terms energy: -26.061462
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.249
flat angles P-C4'-P energy: -5.178
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -49.581504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.581504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.581504 (E_RNA)
where:
Base-Base interactions energy: -17.925
where: short stacking energy: -17.925
Base-Backbone interact. energy: -0.000
local terms energy: -31.656813
where:
bonds (distance) C4'-P energy: -5.041
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.590
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -49.358741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.358741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.358741 (E_RNA)
where:
Base-Base interactions energy: -18.673
where: short stacking energy: -18.673
Base-Backbone interact. energy: -0.095
local terms energy: -30.590285
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -42.340794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.340794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.340794 (E_RNA)
where:
Base-Base interactions energy: -20.096
where: short stacking energy: -19.989
Base-Backbone interact. energy: -0.101
local terms energy: -22.143735
where:
bonds (distance) C4'-P energy: -3.628
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -4.531
flat angles P-C4'-P energy: -1.653
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -37.136606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.136606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.136606 (E_RNA)
where:
Base-Base interactions energy: -11.796
where: short stacking energy: -11.796
Base-Backbone interact. energy: -0.109
local terms energy: -25.231699
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -5.446
flat angles C4'-P-C4' energy: -6.863
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -1.787
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: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -39.248545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.248545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.248545 (E_RNA)
where:
Base-Base interactions energy: -17.231
where: short stacking energy: -12.922
Base-Backbone interact. energy: -0.009
local terms energy: -22.009259
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -41.594267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.594267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.594267 (E_RNA)
where:
Base-Base interactions energy: -16.994
where: short stacking energy: -15.775
Base-Backbone interact. energy: -0.002
local terms energy: -24.598598
where:
bonds (distance) C4'-P energy: -5.222
bonds (distance) P-C4' energy: -6.010
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -4.624
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: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -37.307610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.307610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.307610 (E_RNA)
where:
Base-Base interactions energy: -14.718
where: short stacking energy: -14.718
Base-Backbone interact. energy: -0.000
local terms energy: -22.589536
where:
bonds (distance) C4'-P energy: -4.445
bonds (distance) P-C4' energy: -4.112
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -39.528653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.528653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.528653 (E_RNA)
where:
Base-Base interactions energy: -15.061
where: short stacking energy: -14.204
Base-Backbone interact. energy: -0.000
local terms energy: -24.467742
where:
bonds (distance) C4'-P energy: -4.809
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -2.841
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: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -50.556079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.556079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.556079 (E_RNA)
where:
Base-Base interactions energy: -22.312
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.000
local terms energy: -28.244446
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -5.254
flat angles P-C4'-P energy: -3.424
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: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -49.239341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.239341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.239341 (E_RNA)
where:
Base-Base interactions energy: -20.555
where: short stacking energy: -20.555
Base-Backbone interact. energy: -0.000
local terms energy: -28.684428
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -43.150006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.150006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.150006 (E_RNA)
where:
Base-Base interactions energy: -19.615
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.048
local terms energy: -23.487173
where:
bonds (distance) C4'-P energy: -6.183
bonds (distance) P-C4' energy: -5.716
flat angles C4'-P-C4' energy: -5.816
flat angles P-C4'-P energy: -4.176
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: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -40.145767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.145767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.145767 (E_RNA)
where:
Base-Base interactions energy: -14.323
where: short stacking energy: -14.323
Base-Backbone interact. energy: -0.099
local terms energy: -25.723525
where:
bonds (distance) C4'-P energy: -5.843
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -43.830524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.830524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.830524 (E_RNA)
where:
Base-Base interactions energy: -17.404
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.014
local terms energy: -26.412196
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -44.935801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.935801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.935801 (E_RNA)
where:
Base-Base interactions energy: -16.104
where: short stacking energy: -14.417
Base-Backbone interact. energy: -0.031
local terms energy: -28.800926
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -4.861
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: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -35.766237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.766237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.766237 (E_RNA)
where:
Base-Base interactions energy: -9.240
where: short stacking energy: -9.240
Base-Backbone interact. energy: -0.000
local terms energy: -26.526577
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -5.498
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -38.883465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.883465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.883465 (E_RNA)
where:
Base-Base interactions energy: -17.377
where: short stacking energy: -17.377
Base-Backbone interact. energy: -0.000
local terms energy: -21.505545
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -3.115
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -38.419423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.419423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.419423 (E_RNA)
where:
Base-Base interactions energy: -14.748
where: short stacking energy: -14.748
Base-Backbone interact. energy: 0.088
local terms energy: -23.758827
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -1.553
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -39.941599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.941599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.941599 (E_RNA)
where:
Base-Base interactions energy: -12.929
where: short stacking energy: -12.929
Base-Backbone interact. energy: -0.002
local terms energy: -27.010767
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -5.382
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -53.613533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.613533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.613533 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -25.408
Base-Backbone interact. energy: -0.000
local terms energy: -28.205421
where:
bonds (distance) C4'-P energy: -4.676
bonds (distance) P-C4' energy: -6.569
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -44.919083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.919083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.919083 (E_RNA)
where:
Base-Base interactions energy: -20.663
where: short stacking energy: -15.915
Base-Backbone interact. energy: -0.183
local terms energy: -24.072751
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -5.891
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -44.777065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.777065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.777065 (E_RNA)
where:
Base-Base interactions energy: -24.199
where: short stacking energy: -22.025
Base-Backbone interact. energy: -0.002
local terms energy: -20.576486
where:
bonds (distance) C4'-P energy: -5.658
bonds (distance) P-C4' energy: -4.268
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -39.148192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.148192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.148192 (E_RNA)
where:
Base-Base interactions energy: -15.935
where: short stacking energy: -15.935
Base-Backbone interact. energy: -0.249
local terms energy: -22.964194
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -3.934
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -38.776699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.776699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.776699 (E_RNA)
where:
Base-Base interactions energy: -17.130
where: short stacking energy: -13.380
Base-Backbone interact. energy: -0.001
local terms energy: -21.645475
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -4.048
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -42.106401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.106401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.106401 (E_RNA)
where:
Base-Base interactions energy: -18.930
where: short stacking energy: -18.930
Base-Backbone interact. energy: -0.001
local terms energy: -23.176150
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -6.048
flat angles C4'-P-C4' energy: -3.005
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -34.713408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.713408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.713408 (E_RNA)
where:
Base-Base interactions energy: -11.134
where: short stacking energy: -11.134
Base-Backbone interact. energy: -0.004
local terms energy: -23.575929
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -6.259
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -35.321751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.321751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.321751 (E_RNA)
where:
Base-Base interactions energy: -15.352
where: short stacking energy: -13.114
Base-Backbone interact. energy: -0.001
local terms energy: -19.968962
where:
bonds (distance) C4'-P energy: -4.891
bonds (distance) P-C4' energy: -3.069
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -35.109003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.109003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.109003 (E_RNA)
where:
Base-Base interactions energy: -16.839
where: short stacking energy: -10.013
Base-Backbone interact. energy: -0.023
local terms energy: -18.247706
where:
bonds (distance) C4'-P energy: -4.333
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -35.157100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.157100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.157100 (E_RNA)
where:
Base-Base interactions energy: -15.273
where: short stacking energy: -12.220
Base-Backbone interact. energy: 0.413
local terms energy: -20.296591
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -4.762
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -1.932
tors. eta vs tors. theta energy: -2.086
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -46.274313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.274313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.274313 (E_RNA)
where:
Base-Base interactions energy: -17.492
where: short stacking energy: -17.492
Base-Backbone interact. energy: -0.006
local terms energy: -28.775952
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -50.722648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.722648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.722648 (E_RNA)
where:
Base-Base interactions energy: -19.891
where: short stacking energy: -19.891
Base-Backbone interact. energy: -0.001
local terms energy: -30.830670
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -5.882
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -5.745
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -54.875278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.875278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.875278 (E_RNA)
where:
Base-Base interactions energy: -27.969
where: short stacking energy: -27.969
Base-Backbone interact. energy: -0.000
local terms energy: -26.905884
where:
bonds (distance) C4'-P energy: -5.095
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -1.159
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -49.869205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.869205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.869205 (E_RNA)
where:
Base-Base interactions energy: -20.547
where: short stacking energy: -20.547
Base-Backbone interact. energy: -0.000
local terms energy: -29.322066
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -6.796
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: 265
Temperature: 1.100000
Total energy: -40.667843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.667843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.667843 (E_RNA)
where:
Base-Base interactions energy: -16.000
where: short stacking energy: -16.000
Base-Backbone interact. energy: -0.066
local terms energy: -24.601989
where:
bonds (distance) C4'-P energy: -3.791
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -41.238594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.238594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.238594 (E_RNA)
where:
Base-Base interactions energy: -12.341
where: short stacking energy: -12.341
Base-Backbone interact. energy: -0.000
local terms energy: -28.896920
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -2.838
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: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -41.777074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.777074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.777074 (E_RNA)
where:
Base-Base interactions energy: -15.238
where: short stacking energy: -15.238
Base-Backbone interact. energy: -0.000
local terms energy: -26.539028
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -6.074
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -37.558396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.558396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.558396 (E_RNA)
where:
Base-Base interactions energy: -16.966
where: short stacking energy: -16.966
Base-Backbone interact. energy: -0.001
local terms energy: -20.592168
where:
bonds (distance) C4'-P energy: -5.633
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -3.025
flat angles P-C4'-P energy: -1.454
tors. eta vs tors. theta energy: -4.077
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -35.343657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.343657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.343657 (E_RNA)
where:
Base-Base interactions energy: -11.775
where: short stacking energy: -11.775
Base-Backbone interact. energy: -0.014
local terms energy: -23.554590
where:
bonds (distance) C4'-P energy: -5.330
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -4.490
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -34.139485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.139485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.139485 (E_RNA)
where:
Base-Base interactions energy: -11.482
where: short stacking energy: -11.482
Base-Backbone interact. energy: 1.263
local terms energy: -23.920836
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -51.231055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.231055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.231055 (E_RNA)
where:
Base-Base interactions energy: -22.274
where: short stacking energy: -22.274
Base-Backbone interact. energy: -0.005
local terms energy: -28.951872
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -54.443747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.443747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.443747 (E_RNA)
where:
Base-Base interactions energy: -21.640
where: short stacking energy: -21.640
Base-Backbone interact. energy: -0.000
local terms energy: -32.804218
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -6.221
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: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -53.380840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.380840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.380840 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -23.582
Base-Backbone interact. energy: -0.000
local terms energy: -26.912848
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -45.038885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.038885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.038885 (E_RNA)
where:
Base-Base interactions energy: -17.981
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.000
local terms energy: -27.057965
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -4.756
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -4.454
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: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -40.472979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.472979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.472979 (E_RNA)
where:
Base-Base interactions energy: -14.160
where: short stacking energy: -12.916
Base-Backbone interact. energy: -0.036
local terms energy: -26.277099
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -40.120707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.120707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.120707 (E_RNA)
where:
Base-Base interactions energy: -16.342
where: short stacking energy: -12.934
Base-Backbone interact. energy: -0.189
local terms energy: -23.589371
where:
bonds (distance) C4'-P energy: -4.718
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -4.672
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -3.597
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: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -38.773362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.773362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.773362 (E_RNA)
where:
Base-Base interactions energy: -11.773
where: short stacking energy: -11.773
Base-Backbone interact. energy: -0.098
local terms energy: -26.902217
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -33.523118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.523118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.523118 (E_RNA)
where:
Base-Base interactions energy: -10.751
where: short stacking energy: -10.751
Base-Backbone interact. energy: -0.002
local terms energy: -22.770130
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.034
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -35.934183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.934183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.934183 (E_RNA)
where:
Base-Base interactions energy: -11.581
where: short stacking energy: -11.581
Base-Backbone interact. energy: -0.004
local terms energy: -24.349112
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -3.005
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: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -32.293527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.293527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.293527 (E_RNA)
where:
Base-Base interactions energy: -10.502
where: short stacking energy: -10.502
Base-Backbone interact. energy: -0.145
local terms energy: -21.645696
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -50.219111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.219111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.219111 (E_RNA)
where:
Base-Base interactions energy: -21.774
where: short stacking energy: -21.774
Base-Backbone interact. energy: 0.023
local terms energy: -28.468526
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -49.427379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.427379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.427379 (E_RNA)
where:
Base-Base interactions energy: -17.504
where: short stacking energy: -17.504
Base-Backbone interact. energy: -0.000
local terms energy: -31.922901
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -6.962
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -45.333737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.333737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.333737 (E_RNA)
where:
Base-Base interactions energy: -18.105
where: short stacking energy: -18.105
Base-Backbone interact. energy: -0.000
local terms energy: -27.228460
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.740
flat angles C4'-P-C4' energy: -6.530
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -32.941709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.941709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.941709 (E_RNA)
where:
Base-Base interactions energy: -7.253
where: short stacking energy: -7.253
Base-Backbone interact. energy: -0.110
local terms energy: -25.578450
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -0.604
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -43.281474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.281474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.281474 (E_RNA)
where:
Base-Base interactions energy: -16.279
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.000
local terms energy: -27.002219
where:
bonds (distance) C4'-P energy: -4.552
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -4.939
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -42.043068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.043068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.043068 (E_RNA)
where:
Base-Base interactions energy: -18.740
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.019
local terms energy: -23.284157
where:
bonds (distance) C4'-P energy: -4.498
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -36.492163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.492163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.492163 (E_RNA)
where:
Base-Base interactions energy: -14.052
where: short stacking energy: -14.052
Base-Backbone interact. energy: -0.015
local terms energy: -22.424900
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -2.701
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -38.559455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.559455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.559455 (E_RNA)
where:
Base-Base interactions energy: -12.943
where: short stacking energy: -12.943
Base-Backbone interact. energy: -0.006
local terms energy: -25.610507
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -5.159
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -37.648180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.648180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.648180 (E_RNA)
where:
Base-Base interactions energy: -12.207
where: short stacking energy: -12.207
Base-Backbone interact. energy: -0.001
local terms energy: -25.440160
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -1.811
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: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -32.828264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.828264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.828264 (E_RNA)
where:
Base-Base interactions energy: -7.179
where: short stacking energy: -7.179
Base-Backbone interact. energy: -0.002
local terms energy: -25.647546
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -51.808405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.808405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.808405 (E_RNA)
where:
Base-Base interactions energy: -21.184
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.000
local terms energy: -30.624307
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -7.487
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: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -50.167589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.167589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.167589 (E_RNA)
where:
Base-Base interactions energy: -18.969
where: short stacking energy: -18.969
Base-Backbone interact. energy: -0.000
local terms energy: -31.198036
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -7.073
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -41.591428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.591428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.591428 (E_RNA)
where:
Base-Base interactions energy: -19.874
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.000
local terms energy: -21.717281
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -2.195
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -47.063164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.063164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.063164 (E_RNA)
where:
Base-Base interactions energy: -19.159
where: short stacking energy: -18.651
Base-Backbone interact. energy: -0.001
local terms energy: -27.903057
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.337
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -5.298
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: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -38.119092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.119092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.119092 (E_RNA)
where:
Base-Base interactions energy: -12.862
where: short stacking energy: -12.862
Base-Backbone interact. energy: -0.951
local terms energy: -24.305679
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.022
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -0.825
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: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -41.475756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.475756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.475756 (E_RNA)
where:
Base-Base interactions energy: -19.186
where: short stacking energy: -19.186
Base-Backbone interact. energy: -0.005
local terms energy: -22.285125
where:
bonds (distance) C4'-P energy: -3.781
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -3.001
tors. eta vs tors. theta energy: -2.476
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: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -40.320604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.320604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.320604 (E_RNA)
where:
Base-Base interactions energy: -14.277
where: short stacking energy: -14.228
Base-Backbone interact. energy: -0.008
local terms energy: -26.035581
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -4.227
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -38.934057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.934057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.934057 (E_RNA)
where:
Base-Base interactions energy: -14.600
where: short stacking energy: -14.600
Base-Backbone interact. energy: -0.014
local terms energy: -24.320704
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -45.613608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.613608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.613608 (E_RNA)
where:
Base-Base interactions energy: -16.651
where: short stacking energy: -16.651
Base-Backbone interact. energy: -0.001
local terms energy: -28.961751
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -33.657644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.657644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.657644 (E_RNA)
where:
Base-Base interactions energy: -11.647
where: short stacking energy: -11.647
Base-Backbone interact. energy: -0.031
local terms energy: -21.980251
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -1.991
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: 269
Temperature: 0.900000
Total energy: -42.708260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.708260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.708260 (E_RNA)
where:
Base-Base interactions energy: -17.133
where: short stacking energy: -12.718
Base-Backbone interact. energy: -0.100
local terms energy: -25.475108
where:
bonds (distance) C4'-P energy: -5.819
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -49.267481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.267481 (E_RNA)
where:
Base-Base interactions energy: -19.943
where: short stacking energy: -14.314
Base-Backbone interact. energy: -0.002
local terms energy: -29.322178
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -45.339409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.339409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.339409 (E_RNA)
where:
Base-Base interactions energy: -18.170
where: short stacking energy: -18.170
Base-Backbone interact. energy: -0.002
local terms energy: -27.167445
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -1.988
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: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -42.970737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.970737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.970737 (E_RNA)
where:
Base-Base interactions energy: -18.175
where: short stacking energy: -18.175
Base-Backbone interact. energy: -0.000
local terms energy: -24.795729
where:
bonds (distance) C4'-P energy: -4.192
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -34.670741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.670741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.670741 (E_RNA)
where:
Base-Base interactions energy: -9.925
where: short stacking energy: -8.972
Base-Backbone interact. energy: -0.037
local terms energy: -24.708810
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -40.657240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.657240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.657240 (E_RNA)
where:
Base-Base interactions energy: -18.335
where: short stacking energy: -18.335
Base-Backbone interact. energy: -0.010
local terms energy: -22.312191
where:
bonds (distance) C4'-P energy: -4.664
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -4.862
flat angles P-C4'-P energy: -2.393
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -39.249989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.249989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.249989 (E_RNA)
where:
Base-Base interactions energy: -14.843
where: short stacking energy: -13.621
Base-Backbone interact. energy: -0.013
local terms energy: -24.394219
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -5.022
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -38.327233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.327233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.327233 (E_RNA)
where:
Base-Base interactions energy: -12.432
where: short stacking energy: -12.432
Base-Backbone interact. energy: -0.032
local terms energy: -25.862523
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -0.212
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: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -40.808179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.808179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.808179 (E_RNA)
where:
Base-Base interactions energy: -14.552
where: short stacking energy: -14.552
Base-Backbone interact. energy: -0.000
local terms energy: -26.256597
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.401
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -37.374947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.374947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.374947 (E_RNA)
where:
Base-Base interactions energy: -11.044
where: short stacking energy: -11.044
Base-Backbone interact. energy: -0.002
local terms energy: -26.329133
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.219
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -53.991966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.991966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.991966 (E_RNA)
where:
Base-Base interactions energy: -24.152
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.001
local terms energy: -29.839873
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -6.078
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: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -42.640858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.640858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.640858 (E_RNA)
where:
Base-Base interactions energy: -15.360
where: short stacking energy: -15.360
Base-Backbone interact. energy: -0.027
local terms energy: -27.253629
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -40.790578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.790578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.790578 (E_RNA)
where:
Base-Base interactions energy: -18.749
where: short stacking energy: -18.749
Base-Backbone interact. energy: -0.000
local terms energy: -22.041063
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -4.501
flat angles C4'-P-C4' energy: -5.274
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -52.985594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.985594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.985594 (E_RNA)
where:
Base-Base interactions energy: -23.039
where: short stacking energy: -23.039
Base-Backbone interact. energy: -0.027
local terms energy: -29.918969
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -7.080
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: 270
Temperature: 1.100000
Total energy: -46.317733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.317733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.317733 (E_RNA)
where:
Base-Base interactions energy: -19.731
where: short stacking energy: -19.731
Base-Backbone interact. energy: -0.000
local terms energy: -26.586232
where:
bonds (distance) C4'-P energy: -5.616
bonds (distance) P-C4' energy: -6.228
flat angles C4'-P-C4' energy: -5.591
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -37.111290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.111290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.111290 (E_RNA)
where:
Base-Base interactions energy: -11.450
where: short stacking energy: -11.450
Base-Backbone interact. energy: -0.033
local terms energy: -25.628980
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.568
flat angles P-C4'-P energy: -4.462
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: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -41.444796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.444796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.444796 (E_RNA)
where:
Base-Base interactions energy: -16.573
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.000
local terms energy: -24.871785
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.033
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: -5.877
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: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -36.889146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.889146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.889146 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.000
local terms energy: -20.996387
where:
bonds (distance) C4'-P energy: -2.966
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -1.371
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -35.365099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.365099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.365099 (E_RNA)
where:
Base-Base interactions energy: -13.205
where: short stacking energy: -12.360
Base-Backbone interact. energy: -0.009
local terms energy: -22.150692
where:
bonds (distance) C4'-P energy: -3.943
bonds (distance) P-C4' energy: -4.143
flat angles C4'-P-C4' energy: -5.510
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -33.146805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.146805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.146805 (E_RNA)
where:
Base-Base interactions energy: -11.295
where: short stacking energy: -11.295
Base-Backbone interact. energy: -0.114
local terms energy: -21.738331
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -2.322
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -57.988674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.988674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.988674 (E_RNA)
where:
Base-Base interactions energy: -24.487
where: short stacking energy: -24.487
Base-Backbone interact. energy: -0.000
local terms energy: -33.502005
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -46.818615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.818615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.818615 (E_RNA)
where:
Base-Base interactions energy: -18.750
where: short stacking energy: -18.750
Base-Backbone interact. energy: -0.000
local terms energy: -28.068892
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -5.133
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: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -51.501371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.501371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.501371 (E_RNA)
where:
Base-Base interactions energy: -21.819
where: short stacking energy: -21.819
Base-Backbone interact. energy: -0.000
local terms energy: -29.681786
where:
bonds (distance) C4'-P energy: -4.916
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -5.583
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -40.265538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.265538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.265538 (E_RNA)
where:
Base-Base interactions energy: -17.016
where: short stacking energy: -17.016
Base-Backbone interact. energy: -0.014
local terms energy: -23.235469
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -2.020
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: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -39.750836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.750836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.750836 (E_RNA)
where:
Base-Base interactions energy: -17.729
where: short stacking energy: -15.348
Base-Backbone interact. energy: -0.151
local terms energy: -21.871242
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -41.199092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.199092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.199092 (E_RNA)
where:
Base-Base interactions energy: -17.049
where: short stacking energy: -17.049
Base-Backbone interact. energy: -0.018
local terms energy: -24.132836
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -5.313
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: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -40.380785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.380785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.380785 (E_RNA)
where:
Base-Base interactions energy: -19.412
where: short stacking energy: -19.412
Base-Backbone interact. energy: -0.003
local terms energy: -20.966122
where:
bonds (distance) C4'-P energy: -3.620
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -42.386476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.386476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.386476 (E_RNA)
where:
Base-Base interactions energy: -16.583
where: short stacking energy: -15.728
Base-Backbone interact. energy: -0.003
local terms energy: -25.800981
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -2.275
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -32.420834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.420834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.420834 (E_RNA)
where:
Base-Base interactions energy: -9.338
where: short stacking energy: -9.338
Base-Backbone interact. energy: 0.066
local terms energy: -23.148700
where:
bonds (distance) C4'-P energy: -5.028
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -0.369
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: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -36.006611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.006611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.006611 (E_RNA)
where:
Base-Base interactions energy: -15.113
where: short stacking energy: -15.113
Base-Backbone interact. energy: -0.003
local terms energy: -20.891405
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -1.181
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: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -59.055603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.055603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.055603 (E_RNA)
where:
Base-Base interactions energy: -27.318
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.000
local terms energy: -31.738042
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -44.651884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.651884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.651884 (E_RNA)
where:
Base-Base interactions energy: -17.136
where: short stacking energy: -17.136
Base-Backbone interact. energy: -0.000
local terms energy: -27.515378
where:
bonds (distance) C4'-P energy: -5.309
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -4.021
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: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -47.765459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.765459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.765459 (E_RNA)
where:
Base-Base interactions energy: -21.532
where: short stacking energy: -21.532
Base-Backbone interact. energy: -0.002
local terms energy: -26.232280
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -4.934
flat angles C4'-P-C4' energy: -3.580
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -49.931598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.931598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.931598 (E_RNA)
where:
Base-Base interactions energy: -22.823
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.000
local terms energy: -27.108154
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -4.216
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -5.876
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -43.565103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.565103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.565103 (E_RNA)
where:
Base-Base interactions energy: -16.707
where: short stacking energy: -13.576
Base-Backbone interact. energy: -0.020
local terms energy: -26.838295
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -37.788720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.788720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.788720 (E_RNA)
where:
Base-Base interactions energy: -14.133
where: short stacking energy: -12.730
Base-Backbone interact. energy: -0.019
local terms energy: -23.636726
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -4.704
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: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -39.792895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.792895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.792895 (E_RNA)
where:
Base-Base interactions energy: -14.422
where: short stacking energy: -14.422
Base-Backbone interact. energy: -0.001
local terms energy: -25.370548
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -33.769513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.769513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.769513 (E_RNA)
where:
Base-Base interactions energy: -10.207
where: short stacking energy: -7.703
Base-Backbone interact. energy: 0.576
local terms energy: -24.138216
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -2.028
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: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -37.068651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.068651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.068651 (E_RNA)
where:
Base-Base interactions energy: -11.976
where: short stacking energy: -11.976
Base-Backbone interact. energy: -0.156
local terms energy: -24.936740
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.235
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -35.926631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.926631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.926631 (E_RNA)
where:
Base-Base interactions energy: -12.006
where: short stacking energy: -10.196
Base-Backbone interact. energy: -0.001
local terms energy: -23.919030
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -5.293
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -56.077547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.077547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.077547 (E_RNA)
where:
Base-Base interactions energy: -24.096
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.000
local terms energy: -31.981144
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -5.641
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: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -45.457495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.457495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.457495 (E_RNA)
where:
Base-Base interactions energy: -17.248
where: short stacking energy: -17.248
Base-Backbone interact. energy: -0.000
local terms energy: -28.209743
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -5.879
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -42.000596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.000596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.000596 (E_RNA)
where:
Base-Base interactions energy: -14.485
where: short stacking energy: -14.485
Base-Backbone interact. energy: -0.000
local terms energy: -27.515401
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -53.328142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.328142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.328142 (E_RNA)
where:
Base-Base interactions energy: -24.363
where: short stacking energy: -24.363
Base-Backbone interact. energy: -0.000
local terms energy: -28.965192
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -38.361264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.361264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.361264 (E_RNA)
where:
Base-Base interactions energy: -12.481
where: short stacking energy: -12.481
Base-Backbone interact. energy: -0.098
local terms energy: -25.781807
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -43.568282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.568282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.568282 (E_RNA)
where:
Base-Base interactions energy: -17.289
where: short stacking energy: -17.289
Base-Backbone interact. energy: 0.100
local terms energy: -26.379375
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -4.045
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -35.549654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.549654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.549654 (E_RNA)
where:
Base-Base interactions energy: -10.344
where: short stacking energy: -10.344
Base-Backbone interact. energy: -0.015
local terms energy: -25.190751
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -38.872827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.872827 (E_RNA)
where:
Base-Base interactions energy: -16.761
where: short stacking energy: -16.761
Base-Backbone interact. energy: -0.051
local terms energy: -22.060248
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -2.684
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -35.888288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.888288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.888288 (E_RNA)
where:
Base-Base interactions energy: -15.095
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.030
local terms energy: -20.762762
where:
bonds (distance) C4'-P energy: -2.548
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.915
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -36.044365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.044365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.044365 (E_RNA)
where:
Base-Base interactions energy: -12.869
where: short stacking energy: -12.869
Base-Backbone interact. energy: -0.075
local terms energy: -23.099891
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -2.752
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: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -52.267152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.267152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.267152 (E_RNA)
where:
Base-Base interactions energy: -22.076
where: short stacking energy: -21.850
Base-Backbone interact. energy: -0.001
local terms energy: -30.189205
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -46.585452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.585452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.585452 (E_RNA)
where:
Base-Base interactions energy: -20.433
where: short stacking energy: -20.433
Base-Backbone interact. energy: -0.000
local terms energy: -26.152322
where:
bonds (distance) C4'-P energy: -6.113
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -2.595
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: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -45.683905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.683905 (E_RNA)
where:
Base-Base interactions energy: -19.114
where: short stacking energy: -19.114
Base-Backbone interact. energy: -0.000
local terms energy: -26.570225
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -3.973
flat angles P-C4'-P energy: -3.990
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: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -39.821145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.821145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.821145 (E_RNA)
where:
Base-Base interactions energy: -12.803
where: short stacking energy: -12.092
Base-Backbone interact. energy: -0.988
local terms energy: -26.030326
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -40.079162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.079162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.079162 (E_RNA)
where:
Base-Base interactions energy: -14.766
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.067
local terms energy: -25.245496
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.411
flat angles P-C4'-P energy: -4.279
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: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -42.362844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.362844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.362844 (E_RNA)
where:
Base-Base interactions energy: -17.228
where: short stacking energy: -17.228
Base-Backbone interact. energy: -0.000
local terms energy: -25.134962
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: -4.236
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -36.690848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.690848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.690848 (E_RNA)
where:
Base-Base interactions energy: -14.296
where: short stacking energy: -13.494
Base-Backbone interact. energy: -0.005
local terms energy: -22.389911
where:
bonds (distance) C4'-P energy: -4.771
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -0.163
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -37.818609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.818609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.818609 (E_RNA)
where:
Base-Base interactions energy: -11.407
where: short stacking energy: -11.100
Base-Backbone interact. energy: -0.020
local terms energy: -26.391280
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.347
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -3.057
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -34.413847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.413847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.413847 (E_RNA)
where:
Base-Base interactions energy: -11.523
where: short stacking energy: -10.800
Base-Backbone interact. energy: -0.008
local terms energy: -22.882556
where:
bonds (distance) C4'-P energy: -2.424
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -35.736415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.736415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.736415 (E_RNA)
where:
Base-Base interactions energy: -15.091
where: short stacking energy: -14.864
Base-Backbone interact. energy: -0.010
local terms energy: -20.634852
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -0.043
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: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -48.760654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.760654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.760654 (E_RNA)
where:
Base-Base interactions energy: -20.237
where: short stacking energy: -20.237
Base-Backbone interact. energy: -0.000
local terms energy: -28.523037
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -6.191
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: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -40.292725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292725 (E_RNA)
where:
Base-Base interactions energy: -16.935
where: short stacking energy: -15.695
Base-Backbone interact. energy: 0.218
local terms energy: -23.575684
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -4.139
flat angles P-C4'-P energy: -4.238
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: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -46.946521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.946521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.946521 (E_RNA)
where:
Base-Base interactions energy: -21.063
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.001
local terms energy: -25.882813
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -5.681
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -40.314222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.314222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.314222 (E_RNA)
where:
Base-Base interactions energy: -21.968
where: short stacking energy: -17.465
Base-Backbone interact. energy: -0.051
local terms energy: -18.295393
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -4.367
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -40.599610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.599610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.599610 (E_RNA)
where:
Base-Base interactions energy: -15.739
where: short stacking energy: -15.739
Base-Backbone interact. energy: -0.007
local terms energy: -24.853098
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.957
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -40.894198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.894198 (E_RNA)
where:
Base-Base interactions energy: -15.296
where: short stacking energy: -12.897
Base-Backbone interact. energy: -0.018
local terms energy: -25.580224
where:
bonds (distance) C4'-P energy: -5.731
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -46.032156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.032156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.032156 (E_RNA)
where:
Base-Base interactions energy: -17.765
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.000
local terms energy: -28.267240
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.790
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -5.296
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: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -40.199648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.199648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.199648 (E_RNA)
where:
Base-Base interactions energy: -14.502
where: short stacking energy: -13.428
Base-Backbone interact. energy: -0.001
local terms energy: -25.696435
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -5.305
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -40.066077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.066077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.066077 (E_RNA)
where:
Base-Base interactions energy: -15.936
where: short stacking energy: -15.936
Base-Backbone interact. energy: -0.001
local terms energy: -24.129093
where:
bonds (distance) C4'-P energy: -3.149
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -4.669
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -34.443618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.443618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.443618 (E_RNA)
where:
Base-Base interactions energy: -11.293
where: short stacking energy: -11.293
Base-Backbone interact. energy: -0.017
local terms energy: -23.133180
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -1.800
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -56.292073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.292073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.292073 (E_RNA)
where:
Base-Base interactions energy: -24.359
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.000
local terms energy: -31.932531
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -43.804681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.804681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.804681 (E_RNA)
where:
Base-Base interactions energy: -16.103
where: short stacking energy: -16.103
Base-Backbone interact. energy: -0.490
local terms energy: -27.212517
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -37.607548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.607548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.607548 (E_RNA)
where:
Base-Base interactions energy: -14.730
where: short stacking energy: -14.730
Base-Backbone interact. energy: -0.010
local terms energy: -22.867147
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -42.326614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.326614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.326614 (E_RNA)
where:
Base-Base interactions energy: -13.457
where: short stacking energy: -13.457
Base-Backbone interact. energy: -0.002
local terms energy: -28.867494
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -4.682
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: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -41.507579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.507579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.507579 (E_RNA)
where:
Base-Base interactions energy: -18.633
where: short stacking energy: -12.427
Base-Backbone interact. energy: -0.296
local terms energy: -22.578244
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -37.993132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.993132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.993132 (E_RNA)
where:
Base-Base interactions energy: -16.116
where: short stacking energy: -11.070
Base-Backbone interact. energy: 0.086
local terms energy: -21.962773
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -2.116
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -42.621600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.621600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.621600 (E_RNA)
where:
Base-Base interactions energy: -17.615
where: short stacking energy: -17.615
Base-Backbone interact. energy: -0.004
local terms energy: -25.003183
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -1.081
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -43.176800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.176800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.176800 (E_RNA)
where:
Base-Base interactions energy: -15.706
where: short stacking energy: -15.706
Base-Backbone interact. energy: -0.000
local terms energy: -27.471256
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -33.634998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.634998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.634998 (E_RNA)
where:
Base-Base interactions energy: -13.528
where: short stacking energy: -8.042
Base-Backbone interact. energy: 0.157
local terms energy: -20.264842
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -3.841
flat angles P-C4'-P energy: -1.344
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -30.123907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.123907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.123907 (E_RNA)
where:
Base-Base interactions energy: -7.454
where: short stacking energy: -7.454
Base-Backbone interact. energy: 0.025
local terms energy: -22.694959
where:
bonds (distance) C4'-P energy: -5.032
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -52.077329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.077329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.077329 (E_RNA)
where:
Base-Base interactions energy: -22.326
where: short stacking energy: -22.326
Base-Backbone interact. energy: -0.000
local terms energy: -29.751175
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -5.788
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -5.505
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -45.458773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.458773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.458773 (E_RNA)
where:
Base-Base interactions energy: -18.556
where: short stacking energy: -18.556
Base-Backbone interact. energy: -0.029
local terms energy: -26.873172
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -5.766
flat angles P-C4'-P energy: -4.289
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: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -42.110850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.110850 (E_RNA)
where:
Base-Base interactions energy: -14.456
where: short stacking energy: -13.934
Base-Backbone interact. energy: -0.426
local terms energy: -27.228296
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.958
flat angles P-C4'-P energy: -5.235
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: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -44.281913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.281913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.281913 (E_RNA)
where:
Base-Base interactions energy: -16.875
where: short stacking energy: -16.875
Base-Backbone interact. energy: -0.001
local terms energy: -27.405178
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -43.613557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.613557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.613557 (E_RNA)
where:
Base-Base interactions energy: -17.707
where: short stacking energy: -12.002
Base-Backbone interact. energy: -0.000
local terms energy: -25.906021
where:
bonds (distance) C4'-P energy: -4.901
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -3.373
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -5.583
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: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -40.394915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.394915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.394915 (E_RNA)
where:
Base-Base interactions energy: -20.336
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.003
local terms energy: -20.055291
where:
bonds (distance) C4'-P energy: 1.116
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.368
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -2.249
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -36.032992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.032992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.032992 (E_RNA)
where:
Base-Base interactions energy: -11.589
where: short stacking energy: -11.589
Base-Backbone interact. energy: -0.000
local terms energy: -24.444041
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -53.066651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.066651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.066651 (E_RNA)
where:
Base-Base interactions energy: -23.532
where: short stacking energy: -23.532
Base-Backbone interact. energy: -0.000
local terms energy: -29.534507
where:
bonds (distance) C4'-P energy: -3.616
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -32.013893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.013893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.013893 (E_RNA)
where:
Base-Base interactions energy: -10.572
where: short stacking energy: -9.847
Base-Backbone interact. energy: 0.616
local terms energy: -22.057758
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: 0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -32.199324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.199324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.199324 (E_RNA)
where:
Base-Base interactions energy: -14.820
where: short stacking energy: -14.820
Base-Backbone interact. energy: -0.040
local terms energy: -17.339369
where:
bonds (distance) C4'-P energy: 0.312
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -0.808
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -52.991963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.991963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.991963 (E_RNA)
where:
Base-Base interactions energy: -20.242
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.000
local terms energy: -32.749495
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -7.560
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: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -54.284697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.284697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.284697 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.000
local terms energy: -29.438640
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -52.445843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.445843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.445843 (E_RNA)
where:
Base-Base interactions energy: -23.546
where: short stacking energy: -19.428
Base-Backbone interact. energy: -0.000
local terms energy: -28.899871
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -42.502826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.502826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.502826 (E_RNA)
where:
Base-Base interactions energy: -17.954
where: short stacking energy: -17.954
Base-Backbone interact. energy: -0.000
local terms energy: -24.548850
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -1.757
tors. eta vs tors. theta energy: -4.386
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: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -43.917600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.917600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.917600 (E_RNA)
where:
Base-Base interactions energy: -17.652
where: short stacking energy: -14.928
Base-Backbone interact. energy: -0.098
local terms energy: -26.168314
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -47.592702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.592702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.592702 (E_RNA)
where:
Base-Base interactions energy: -20.874
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.001
local terms energy: -26.717355
where:
bonds (distance) C4'-P energy: -3.454
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.366
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -34.908405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.908405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.908405 (E_RNA)
where:
Base-Base interactions energy: -13.572
where: short stacking energy: -13.572
Base-Backbone interact. energy: -0.036
local terms energy: -21.301366
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: 0.135
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -35.966556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.966556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.966556 (E_RNA)
where:
Base-Base interactions energy: -12.495
where: short stacking energy: -12.495
Base-Backbone interact. energy: -0.053
local terms energy: -23.417958
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -38.266637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.266637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.266637 (E_RNA)
where:
Base-Base interactions energy: -14.072
where: short stacking energy: -8.957
Base-Backbone interact. energy: -0.001
local terms energy: -24.194065
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -35.933061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.933061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.933061 (E_RNA)
where:
Base-Base interactions energy: -13.634
where: short stacking energy: -13.634
Base-Backbone interact. energy: -0.000
local terms energy: -22.298268
where:
bonds (distance) C4'-P energy: -4.083
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -2.655
flat angles P-C4'-P energy: -5.315
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: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -49.660431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.660431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.660431 (E_RNA)
where:
Base-Base interactions energy: -19.207
where: short stacking energy: -19.207
Base-Backbone interact. energy: -0.079
local terms energy: -30.374331
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -3.603
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: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -58.018676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.018676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.018676 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.000
local terms energy: -31.033763
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -49.602884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.602884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.602884 (E_RNA)
where:
Base-Base interactions energy: -21.052
where: short stacking energy: -21.052
Base-Backbone interact. energy: -0.001
local terms energy: -28.549699
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -44.337121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.337121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.337121 (E_RNA)
where:
Base-Base interactions energy: -19.258
where: short stacking energy: -14.571
Base-Backbone interact. energy: -0.056
local terms energy: -25.023977
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -45.210683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.210683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.210683 (E_RNA)
where:
Base-Base interactions energy: -15.365
where: short stacking energy: -15.365
Base-Backbone interact. energy: -0.015
local terms energy: -29.830515
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -40.070166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.070166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.070166 (E_RNA)
where:
Base-Base interactions energy: -17.650
where: short stacking energy: -16.694
Base-Backbone interact. energy: -0.050
local terms energy: -22.370637
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -3.415
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -4.141
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: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -34.264173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.264173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.264173 (E_RNA)
where:
Base-Base interactions energy: -14.009
where: short stacking energy: -13.453
Base-Backbone interact. energy: -0.223
local terms energy: -20.032539
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.579
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -5.021
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: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -35.533566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.533566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.533566 (E_RNA)
where:
Base-Base interactions energy: -11.071
where: short stacking energy: -11.071
Base-Backbone interact. energy: -0.000
local terms energy: -24.462224
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.311
flat angles C4'-P-C4' energy: -4.129
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -35.849865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.849865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.849865 (E_RNA)
where:
Base-Base interactions energy: -11.791
where: short stacking energy: -8.281
Base-Backbone interact. energy: -0.082
local terms energy: -23.976517
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -35.857914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.857914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.857914 (E_RNA)
where:
Base-Base interactions energy: -15.385
where: short stacking energy: -15.385
Base-Backbone interact. energy: -0.000
local terms energy: -20.472686
where:
bonds (distance) C4'-P energy: -3.247
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -0.079
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -48.621886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.621886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.621886 (E_RNA)
where:
Base-Base interactions energy: -21.278
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.000
local terms energy: -27.343935
where:
bonds (distance) C4'-P energy: -5.417
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -4.069
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: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -45.104623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.104623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.104623 (E_RNA)
where:
Base-Base interactions energy: -20.894
where: short stacking energy: -16.078
Base-Backbone interact. energy: -0.000
local terms energy: -24.209841
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -6.146
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -45.412568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.412568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.412568 (E_RNA)
where:
Base-Base interactions energy: -21.367
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.000
local terms energy: -24.045005
where:
bonds (distance) C4'-P energy: -2.722
bonds (distance) P-C4' energy: -4.734
flat angles C4'-P-C4' energy: -6.065
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -7.197
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: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -43.847400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.847400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.847400 (E_RNA)
where:
Base-Base interactions energy: -18.955
where: short stacking energy: -18.955
Base-Backbone interact. energy: 0.024
local terms energy: -24.916240
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -3.973
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -43.034868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.034868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.034868 (E_RNA)
where:
Base-Base interactions energy: -16.314
where: short stacking energy: -16.314
Base-Backbone interact. energy: -0.000
local terms energy: -26.721003
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -4.389
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: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -37.316990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.316990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.316990 (E_RNA)
where:
Base-Base interactions energy: -13.868
where: short stacking energy: -13.868
Base-Backbone interact. energy: -0.019
local terms energy: -23.429438
where:
bonds (distance) C4'-P energy: -5.259
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.238
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -35.796007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.796007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.796007 (E_RNA)
where:
Base-Base interactions energy: -10.916
where: short stacking energy: -9.933
Base-Backbone interact. energy: -0.003
local terms energy: -24.877410
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.154
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -38.926893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.926893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.926893 (E_RNA)
where:
Base-Base interactions energy: -15.613
where: short stacking energy: -15.613
Base-Backbone interact. energy: -0.000
local terms energy: -23.314007
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.476
flat angles P-C4'-P energy: -2.485
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -38.376933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.376933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.376933 (E_RNA)
where:
Base-Base interactions energy: -16.043
where: short stacking energy: -16.043
Base-Backbone interact. energy: -0.004
local terms energy: -22.329944
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -3.888
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -30.325677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.325677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.325677 (E_RNA)
where:
Base-Base interactions energy: -9.612
where: short stacking energy: -9.612
Base-Backbone interact. energy: -0.007
local terms energy: -20.706624
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.018
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -50.055240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.055240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.055240 (E_RNA)
where:
Base-Base interactions energy: -21.076
where: short stacking energy: -21.076
Base-Backbone interact. energy: -0.000
local terms energy: -28.978996
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.073
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -5.996
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: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -46.074248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.074248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.074248 (E_RNA)
where:
Base-Base interactions energy: -18.462
where: short stacking energy: -17.925
Base-Backbone interact. energy: -0.000
local terms energy: -27.612062
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -50.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.327654 (E_RNA)
where:
Base-Base interactions energy: -19.840
where: short stacking energy: -19.840
Base-Backbone interact. energy: -0.000
local terms energy: -30.488085
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -1.719
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: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -43.820594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.820594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.820594 (E_RNA)
where:
Base-Base interactions energy: -17.382
where: short stacking energy: -15.971
Base-Backbone interact. energy: -0.002
local terms energy: -26.436541
where:
bonds (distance) C4'-P energy: -5.335
bonds (distance) P-C4' energy: -5.941
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -3.782
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: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -39.597093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.597093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.597093 (E_RNA)
where:
Base-Base interactions energy: -18.524
where: short stacking energy: -18.352
Base-Backbone interact. energy: -0.000
local terms energy: -21.072420
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: 0.149
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: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -37.004912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.004912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.004912 (E_RNA)
where:
Base-Base interactions energy: -18.137
where: short stacking energy: -17.159
Base-Backbone interact. energy: -0.049
local terms energy: -18.818836
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -4.845
flat angles C4'-P-C4' energy: -1.963
flat angles P-C4'-P energy: -4.886
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: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -46.591844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.591844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.591844 (E_RNA)
where:
Base-Base interactions energy: -24.250
where: short stacking energy: -24.250
Base-Backbone interact. energy: -0.001
local terms energy: -22.340084
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -3.272
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: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -43.000258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.000258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.000258 (E_RNA)
where:
Base-Base interactions energy: -17.992
where: short stacking energy: -17.992
Base-Backbone interact. energy: -0.001
local terms energy: -25.007227
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -3.874
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: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -35.891943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.891943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.891943 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.103
local terms energy: -22.879715
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -3.338
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -33.125078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.125078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.125078 (E_RNA)
where:
Base-Base interactions energy: -9.861
where: short stacking energy: -9.861
Base-Backbone interact. energy: -0.001
local terms energy: -23.263259
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -3.509
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -47.327989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.327989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.327989 (E_RNA)
where:
Base-Base interactions energy: -21.742
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.000
local terms energy: -25.586305
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.833
flat angles P-C4'-P energy: -3.687
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: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -42.812193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.812193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.812193 (E_RNA)
where:
Base-Base interactions energy: -13.967
where: short stacking energy: -12.672
Base-Backbone interact. energy: -0.000
local terms energy: -28.845067
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -4.448
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: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -50.122373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.122373 (E_RNA)
where:
Base-Base interactions energy: -21.244
where: short stacking energy: -21.244
Base-Backbone interact. energy: -0.000
local terms energy: -28.877995
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -7.552
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -55.993878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.993878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.993878 (E_RNA)
where:
Base-Base interactions energy: -25.171
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.000
local terms energy: -30.823202
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -5.703
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -42.033088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.033088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.033088 (E_RNA)
where:
Base-Base interactions energy: -18.384
where: short stacking energy: -18.384
Base-Backbone interact. energy: -0.000
local terms energy: -23.648873
where:
bonds (distance) C4'-P energy: -4.928
bonds (distance) P-C4' energy: -5.717
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -37.903538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.903538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.903538 (E_RNA)
where:
Base-Base interactions energy: -15.550
where: short stacking energy: -15.550
Base-Backbone interact. energy: -0.009
local terms energy: -22.345333
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -6.013
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -41.321006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.321006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.321006 (E_RNA)
where:
Base-Base interactions energy: -17.716
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.000
local terms energy: -23.604650
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -32.163031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.163031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.163031 (E_RNA)
where:
Base-Base interactions energy: -10.145
where: short stacking energy: -7.186
Base-Backbone interact. energy: 1.196
local terms energy: -23.214337
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -5.870
flat angles C4'-P-C4' energy: -5.137
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -42.897957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.897957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.897957 (E_RNA)
where:
Base-Base interactions energy: -17.804
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.000
local terms energy: -25.093623
where:
bonds (distance) C4'-P energy: -5.377
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.415
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -4.199
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: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -35.223633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.223633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.223633 (E_RNA)
where:
Base-Base interactions energy: -14.550
where: short stacking energy: -14.550
Base-Backbone interact. energy: -0.040
local terms energy: -20.633881
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -4.354
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -6.089
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: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -61.250957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.250957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.250957 (E_RNA)
where:
Base-Base interactions energy: -26.646
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.000
local terms energy: -34.604485
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -6.972
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -8.863
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -48.023344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.023344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.023344 (E_RNA)
where:
Base-Base interactions energy: -18.720
where: short stacking energy: -18.720
Base-Backbone interact. energy: -0.000
local terms energy: -29.303328
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -5.639
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -60.630421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.630421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.630421 (E_RNA)
where:
Base-Base interactions energy: -26.867
where: short stacking energy: -26.867
Base-Backbone interact. energy: -0.000
local terms energy: -33.763860
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -47.209094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.209094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.209094 (E_RNA)
where:
Base-Base interactions energy: -19.956
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.023
local terms energy: -27.230296
where:
bonds (distance) C4'-P energy: -4.001
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.144
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -43.522087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.522087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.522087 (E_RNA)
where:
Base-Base interactions energy: -15.682
where: short stacking energy: -13.038
Base-Backbone interact. energy: -0.000
local terms energy: -27.840287
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -3.102
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: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -43.227089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.227089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.227089 (E_RNA)
where:
Base-Base interactions energy: -16.814
where: short stacking energy: -16.339
Base-Backbone interact. energy: -0.006
local terms energy: -26.407035
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -5.287
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: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -40.101998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.101998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.101998 (E_RNA)
where:
Base-Base interactions energy: -12.760
where: short stacking energy: -12.760
Base-Backbone interact. energy: -0.001
local terms energy: -27.340754
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -6.343
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: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -37.554374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.554374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.554374 (E_RNA)
where:
Base-Base interactions energy: -14.241
where: short stacking energy: -14.241
Base-Backbone interact. energy: -0.000
local terms energy: -23.313752
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -5.155
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -38.880578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.880578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.880578 (E_RNA)
where:
Base-Base interactions energy: -16.513
where: short stacking energy: -14.819
Base-Backbone interact. energy: -0.084
local terms energy: -22.283432
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -2.454
tors. eta vs tors. theta energy: -3.617
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: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -33.482679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.482679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.482679 (E_RNA)
where:
Base-Base interactions energy: -10.681
where: short stacking energy: -9.993
Base-Backbone interact. energy: -0.046
local terms energy: -22.755672
where:
bonds (distance) C4'-P energy: -5.181
bonds (distance) P-C4' energy: -6.069
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -51.711453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.711453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.711453 (E_RNA)
where:
Base-Base interactions energy: -20.033
where: short stacking energy: -20.033
Base-Backbone interact. energy: -0.000
local terms energy: -31.678403
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -57.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.804673 (E_RNA)
where:
Base-Base interactions energy: -26.929
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.000
local terms energy: -30.875467
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -51.499407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.499407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.499407 (E_RNA)
where:
Base-Base interactions energy: -20.146
where: short stacking energy: -20.146
Base-Backbone interact. energy: -0.058
local terms energy: -31.295538
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -5.491
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: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -39.491937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.491937 (E_RNA)
where:
Base-Base interactions energy: -12.969
where: short stacking energy: -12.969
Base-Backbone interact. energy: -0.028
local terms energy: -26.494480
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -37.263497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.263497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.263497 (E_RNA)
where:
Base-Base interactions energy: -12.412
where: short stacking energy: -11.605
Base-Backbone interact. energy: -0.662
local terms energy: -24.189487
where:
bonds (distance) C4'-P energy: -4.586
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -5.572
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: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -40.804044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.804044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.804044 (E_RNA)
where:
Base-Base interactions energy: -13.707
where: short stacking energy: -13.707
Base-Backbone interact. energy: -0.242
local terms energy: -26.855621
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -36.467868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.467868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.467868 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.011
local terms energy: -23.683075
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -2.284
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: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -33.811861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.811861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.811861 (E_RNA)
where:
Base-Base interactions energy: -10.672
where: short stacking energy: -10.672
Base-Backbone interact. energy: -0.000
local terms energy: -23.139507
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -36.158481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.158481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.158481 (E_RNA)
where:
Base-Base interactions energy: -13.003
where: short stacking energy: -13.003
Base-Backbone interact. energy: 0.224
local terms energy: -23.379507
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -38.769781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.769781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.769781 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -18.010
Base-Backbone interact. energy: -0.005
local terms energy: -20.754459
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -2.998
flat angles C4'-P-C4' energy: -4.997
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -2.763
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: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -50.601138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.601138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.601138 (E_RNA)
where:
Base-Base interactions energy: -23.104
where: short stacking energy: -22.799
Base-Backbone interact. energy: -0.035
local terms energy: -27.462879
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.286
flat angles C4'-P-C4' energy: -6.000
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -54.071126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.071126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.071126 (E_RNA)
where:
Base-Base interactions energy: -22.130
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.000
local terms energy: -31.941335
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.908
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -50.040655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.040655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.040655 (E_RNA)
where:
Base-Base interactions energy: -23.276
where: short stacking energy: -23.276
Base-Backbone interact. energy: -0.179
local terms energy: -26.585761
where:
bonds (distance) C4'-P energy: -5.881
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -1.792
tors. eta vs tors. theta energy: -5.111
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: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -44.441775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.441775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.441775 (E_RNA)
where:
Base-Base interactions energy: -16.621
where: short stacking energy: -16.621
Base-Backbone interact. energy: -0.000
local terms energy: -27.820764
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -53.237474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.237474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.237474 (E_RNA)
where:
Base-Base interactions energy: -24.299
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.000
local terms energy: -28.938777
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -43.864008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.864008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.864008 (E_RNA)
where:
Base-Base interactions energy: -18.131
where: short stacking energy: -18.131
Base-Backbone interact. energy: -0.002
local terms energy: -25.731200
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -42.411229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.411229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.411229 (E_RNA)
where:
Base-Base interactions energy: -13.430
where: short stacking energy: -11.909
Base-Backbone interact. energy: -0.000
local terms energy: -28.980987
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -7.522
flat angles P-C4'-P energy: -4.817
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: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -43.471606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.471606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.471606 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.047
local terms energy: -26.864873
where:
bonds (distance) C4'-P energy: -4.793
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -37.591232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.591232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.591232 (E_RNA)
where:
Base-Base interactions energy: -13.864
where: short stacking energy: -13.864
Base-Backbone interact. energy: -0.120
local terms energy: -23.606783
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -4.515
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -36.493399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.493399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.493399 (E_RNA)
where:
Base-Base interactions energy: -13.074
where: short stacking energy: -13.074
Base-Backbone interact. energy: -0.010
local terms energy: -23.409461
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -47.339166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.339166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.339166 (E_RNA)
where:
Base-Base interactions energy: -18.725
where: short stacking energy: -18.725
Base-Backbone interact. energy: -0.000
local terms energy: -28.614490
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -57.868590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.868590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.868590 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -20.920
Base-Backbone interact. energy: -0.000
local terms energy: -30.945064
where:
bonds (distance) C4'-P energy: -5.480
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -46.046428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.046428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.046428 (E_RNA)
where:
Base-Base interactions energy: -18.226
where: short stacking energy: -18.226
Base-Backbone interact. energy: -0.436
local terms energy: -27.384319
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -4.679
flat angles P-C4'-P energy: -5.203
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: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -46.166132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.166132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.166132 (E_RNA)
where:
Base-Base interactions energy: -19.240
where: short stacking energy: -19.240
Base-Backbone interact. energy: -0.000
local terms energy: -26.925857
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.056
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -3.147
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -42.439358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.439358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.439358 (E_RNA)
where:
Base-Base interactions energy: -13.272
where: short stacking energy: -12.642
Base-Backbone interact. energy: -0.000
local terms energy: -29.166811
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -44.131355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.131355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.131355 (E_RNA)
where:
Base-Base interactions energy: -17.611
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.006
local terms energy: -26.514202
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -38.522920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.522920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.522920 (E_RNA)
where:
Base-Base interactions energy: -12.432
where: short stacking energy: -12.432
Base-Backbone interact. energy: -0.028
local terms energy: -26.063081
where:
bonds (distance) C4'-P energy: -3.429
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -33.928788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.928788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.928788 (E_RNA)
where:
Base-Base interactions energy: -9.172
where: short stacking energy: -8.808
Base-Backbone interact. energy: -0.000
local terms energy: -24.756435
where:
bonds (distance) C4'-P energy: -3.052
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -38.675846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.675846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.675846 (E_RNA)
where:
Base-Base interactions energy: -14.086
where: short stacking energy: -14.086
Base-Backbone interact. energy: -0.001
local terms energy: -24.588865
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -3.384
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -5.323
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: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -30.642120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.642120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.642120 (E_RNA)
where:
Base-Base interactions energy: -5.716
where: short stacking energy: -5.716
Base-Backbone interact. energy: -0.001
local terms energy: -24.924669
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -47.125781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.125781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.125781 (E_RNA)
where:
Base-Base interactions energy: -18.759
where: short stacking energy: -18.759
Base-Backbone interact. energy: -0.002
local terms energy: -28.365620
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -7.407
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -61.010391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.010391 (E_RNA)
where:
Base-Base interactions energy: -28.757
where: short stacking energy: -24.044
Base-Backbone interact. energy: -0.000
local terms energy: -32.252886
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -5.126
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: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -43.368378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.368378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.368378 (E_RNA)
where:
Base-Base interactions energy: -15.223
where: short stacking energy: -14.098
Base-Backbone interact. energy: -0.001
local terms energy: -28.144876
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -49.744752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.744752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.744752 (E_RNA)
where:
Base-Base interactions energy: -20.630
where: short stacking energy: -20.630
Base-Backbone interact. energy: -0.093
local terms energy: -29.021320
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -44.826125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.826125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.826125 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -18.803
Base-Backbone interact. energy: -0.004
local terms energy: -26.018722
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -4.862
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: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -39.468279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.468279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.468279 (E_RNA)
where:
Base-Base interactions energy: -14.342
where: short stacking energy: -14.342
Base-Backbone interact. energy: -0.000
local terms energy: -25.126758
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -39.314098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.314098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.314098 (E_RNA)
where:
Base-Base interactions energy: -11.744
where: short stacking energy: -11.744
Base-Backbone interact. energy: -0.000
local terms energy: -27.569873
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -39.249117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.249117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.249117 (E_RNA)
where:
Base-Base interactions energy: -15.780
where: short stacking energy: -15.780
Base-Backbone interact. energy: -0.009
local terms energy: -23.460049
where:
bonds (distance) C4'-P energy: -3.036
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.889
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -29.289613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.289613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.289613 (E_RNA)
where:
Base-Base interactions energy: -11.248
where: short stacking energy: -10.739
Base-Backbone interact. energy: -0.169
local terms energy: -17.872756
where:
bonds (distance) C4'-P energy: -4.486
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -2.949
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -30.588273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.588273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.588273 (E_RNA)
where:
Base-Base interactions energy: -9.476
where: short stacking energy: -9.066
Base-Backbone interact. energy: -0.031
local terms energy: -21.081811
where:
bonds (distance) C4'-P energy: -4.432
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -3.530
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: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -55.696489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.696489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.696489 (E_RNA)
where:
Base-Base interactions energy: -24.329
where: short stacking energy: -21.056
Base-Backbone interact. energy: -0.024
local terms energy: -31.343590
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -42.892948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.892948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.892948 (E_RNA)
where:
Base-Base interactions energy: -18.085
where: short stacking energy: -18.085
Base-Backbone interact. energy: -0.046
local terms energy: -24.762298
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -5.392
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -40.090724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.090724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.090724 (E_RNA)
where:
Base-Base interactions energy: -17.995
where: short stacking energy: -17.995
Base-Backbone interact. energy: -0.086
local terms energy: -22.009845
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -48.858815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.858815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.858815 (E_RNA)
where:
Base-Base interactions energy: -24.435
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.000
local terms energy: -24.423537
where:
bonds (distance) C4'-P energy: -4.895
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -38.564597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.564597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.564597 (E_RNA)
where:
Base-Base interactions energy: -12.007
where: short stacking energy: -8.624
Base-Backbone interact. energy: 0.968
local terms energy: -27.525768
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -40.831455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.831455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.831455 (E_RNA)
where:
Base-Base interactions energy: -11.035
where: short stacking energy: -11.035
Base-Backbone interact. energy: -0.000
local terms energy: -29.796292
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -42.268954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.268954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.268954 (E_RNA)
where:
Base-Base interactions energy: -19.337
where: short stacking energy: -19.337
Base-Backbone interact. energy: -0.036
local terms energy: -22.895775
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.532
flat angles C4'-P-C4' energy: -2.430
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -35.246174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.246174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.246174 (E_RNA)
where:
Base-Base interactions energy: -12.764
where: short stacking energy: -11.627
Base-Backbone interact. energy: -0.005
local terms energy: -22.477321
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.063
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -35.572419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.572419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.572419 (E_RNA)
where:
Base-Base interactions energy: -12.641
where: short stacking energy: -10.683
Base-Backbone interact. energy: -0.001
local terms energy: -22.929554
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -2.719
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -35.195155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.195155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.195155 (E_RNA)
where:
Base-Base interactions energy: -12.023
where: short stacking energy: -12.023
Base-Backbone interact. energy: -0.369
local terms energy: -22.803234
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.737
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -58.571220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.571220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.571220 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.000
local terms energy: -30.948700
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -6.247
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: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -46.544679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.544679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.544679 (E_RNA)
where:
Base-Base interactions energy: -18.511
where: short stacking energy: -16.868
Base-Backbone interact. energy: -0.001
local terms energy: -28.033375
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -39.150095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.150095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.150095 (E_RNA)
where:
Base-Base interactions energy: -16.893
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.070
local terms energy: -22.187023
where:
bonds (distance) C4'-P energy: -4.038
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -5.267
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -53.388862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.388862 (E_RNA)
where:
Base-Base interactions energy: -23.206
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.000
local terms energy: -30.182519
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.107
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -6.337
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -42.454461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.454461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.454461 (E_RNA)
where:
Base-Base interactions energy: -17.652
where: short stacking energy: -17.652
Base-Backbone interact. energy: -0.014
local terms energy: -24.788374
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -37.546632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.546632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.546632 (E_RNA)
where:
Base-Base interactions energy: -11.735
where: short stacking energy: -11.735
Base-Backbone interact. energy: -0.000
local terms energy: -25.812067
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -34.344515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.344515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.344515 (E_RNA)
where:
Base-Base interactions energy: -12.877
where: short stacking energy: -4.299
Base-Backbone interact. energy: -0.213
local terms energy: -21.253920
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.145
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: 3.291
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: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -43.087182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.087182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.087182 (E_RNA)
where:
Base-Base interactions energy: -15.580
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.003
local terms energy: -27.504192
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -36.387834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.387834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.387834 (E_RNA)
where:
Base-Base interactions energy: -11.945
where: short stacking energy: -11.063
Base-Backbone interact. energy: -0.004
local terms energy: -24.439458
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -33.033291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.033291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.033291 (E_RNA)
where:
Base-Base interactions energy: -14.877
where: short stacking energy: -11.546
Base-Backbone interact. energy: -0.002
local terms energy: -18.154008
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -1.188
tors. eta vs tors. theta energy: 0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -39.609393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.609393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.609393 (E_RNA)
where:
Base-Base interactions energy: -13.401
where: short stacking energy: -13.401
Base-Backbone interact. energy: -0.041
local terms energy: -26.167690
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -52.441356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.441356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.441356 (E_RNA)
where:
Base-Base interactions energy: -21.447
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.000
local terms energy: -30.993978
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -43.237235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.237235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.237235 (E_RNA)
where:
Base-Base interactions energy: -16.880
where: short stacking energy: -15.203
Base-Backbone interact. energy: -0.002
local terms energy: -26.355419
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -6.315
flat angles C4'-P-C4' energy: -7.377
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -45.336394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.336394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.336394 (E_RNA)
where:
Base-Base interactions energy: -19.294
where: short stacking energy: -18.183
Base-Backbone interact. energy: -0.003
local terms energy: -26.039376
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -1.778
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: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -44.729463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.729463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.729463 (E_RNA)
where:
Base-Base interactions energy: -18.853
where: short stacking energy: -18.853
Base-Backbone interact. energy: -0.000
local terms energy: -25.876459
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -2.403
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: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -39.063593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.063593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.063593 (E_RNA)
where:
Base-Base interactions energy: -15.300
where: short stacking energy: -15.300
Base-Backbone interact. energy: -0.000
local terms energy: -23.763103
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -35.038920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.038920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.038920 (E_RNA)
where:
Base-Base interactions energy: -11.536
where: short stacking energy: -11.536
Base-Backbone interact. energy: -0.007
local terms energy: -23.496077
where:
bonds (distance) C4'-P energy: -5.691
bonds (distance) P-C4' energy: -5.055
flat angles C4'-P-C4' energy: -4.170
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -5.244
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: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -37.969291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.969291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.969291 (E_RNA)
where:
Base-Base interactions energy: -11.922
where: short stacking energy: -11.922
Base-Backbone interact. energy: -0.043
local terms energy: -26.003906
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.595
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -32.699751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.699751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.699751 (E_RNA)
where:
Base-Base interactions energy: -11.172
where: short stacking energy: -11.172
Base-Backbone interact. energy: -0.100
local terms energy: -21.427757
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -3.144
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: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -34.490468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.490468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.490468 (E_RNA)
where:
Base-Base interactions energy: -11.982
where: short stacking energy: -11.807
Base-Backbone interact. energy: -0.010
local terms energy: -22.499211
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -4.389
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -4.489
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: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -60.006280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.006280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.006280 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.000
local terms energy: -34.798930
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -40.074515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.074515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.074515 (E_RNA)
where:
Base-Base interactions energy: -16.532
where: short stacking energy: -16.532
Base-Backbone interact. energy: -0.018
local terms energy: -23.524621
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -43.881592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.881592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.881592 (E_RNA)
where:
Base-Base interactions energy: -17.697
where: short stacking energy: -17.697
Base-Backbone interact. energy: 0.159
local terms energy: -26.343920
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -6.644
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -40.488665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.488665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.488665 (E_RNA)
where:
Base-Base interactions energy: -14.104
where: short stacking energy: -13.280
Base-Backbone interact. energy: -0.145
local terms energy: -26.240124
where:
bonds (distance) C4'-P energy: -2.627
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -43.493529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.493529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.493529 (E_RNA)
where:
Base-Base interactions energy: -16.290
where: short stacking energy: -16.177
Base-Backbone interact. energy: -0.001
local terms energy: -27.202852
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -45.341037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.341037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.341037 (E_RNA)
where:
Base-Base interactions energy: -15.274
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.000
local terms energy: -30.067084
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.698
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -37.755164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.755164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.755164 (E_RNA)
where:
Base-Base interactions energy: -14.839
where: short stacking energy: -14.839
Base-Backbone interact. energy: -0.084
local terms energy: -22.832760
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -2.996
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -39.585627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.585627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.585627 (E_RNA)
where:
Base-Base interactions energy: -13.742
where: short stacking energy: -13.742
Base-Backbone interact. energy: -0.000
local terms energy: -25.843567
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -4.121
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -4.236
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: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -38.829863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.829863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.829863 (E_RNA)
where:
Base-Base interactions energy: -12.660
where: short stacking energy: -12.074
Base-Backbone interact. energy: -0.000
local terms energy: -26.169201
where:
bonds (distance) C4'-P energy: -3.973
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -3.884
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -35.553964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.553964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.553964 (E_RNA)
where:
Base-Base interactions energy: -13.476
where: short stacking energy: -13.362
Base-Backbone interact. energy: 1.870
local terms energy: -23.948438
where:
bonds (distance) C4'-P energy: -4.766
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -45.730533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.730533 (E_RNA)
where:
Base-Base interactions energy: -16.735
where: short stacking energy: -16.735
Base-Backbone interact. energy: -0.064
local terms energy: -28.931089
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.675
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: -6.979
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: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -51.347205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.347205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.347205 (E_RNA)
where:
Base-Base interactions energy: -21.860
where: short stacking energy: -21.860
Base-Backbone interact. energy: -0.009
local terms energy: -29.477925
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -4.639
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: 292
Temperature: 1.000000
Total energy: -41.818666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.818666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.818666 (E_RNA)
where:
Base-Base interactions energy: -13.490
where: short stacking energy: -13.490
Base-Backbone interact. energy: -0.004
local terms energy: -28.324315
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.838
flat angles P-C4'-P energy: -4.839
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: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -39.137897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.137897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.137897 (E_RNA)
where:
Base-Base interactions energy: -17.103
where: short stacking energy: -13.259
Base-Backbone interact. energy: -0.178
local terms energy: -21.857049
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -43.769507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.769507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.769507 (E_RNA)
where:
Base-Base interactions energy: -19.476
where: short stacking energy: -12.222
Base-Backbone interact. energy: -0.162
local terms energy: -24.132006
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.927
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -31.989266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.989266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.989266 (E_RNA)
where:
Base-Base interactions energy: -8.151
where: short stacking energy: -5.599
Base-Backbone interact. energy: -0.004
local terms energy: -23.833662
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -38.468936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.468936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.468936 (E_RNA)
where:
Base-Base interactions energy: -15.021
where: short stacking energy: -15.021
Base-Backbone interact. energy: -0.001
local terms energy: -23.446746
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.759
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -41.668281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.668281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.668281 (E_RNA)
where:
Base-Base interactions energy: -18.024
where: short stacking energy: -18.024
Base-Backbone interact. energy: -0.013
local terms energy: -23.631443
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -1.231
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -37.337136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.337136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.337136 (E_RNA)
where:
Base-Base interactions energy: -15.676
where: short stacking energy: -14.852
Base-Backbone interact. energy: -0.001
local terms energy: -21.659746
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -2.068
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -33.313563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.313563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.313563 (E_RNA)
where:
Base-Base interactions energy: -6.831
where: short stacking energy: -5.421
Base-Backbone interact. energy: -0.085
local terms energy: -26.397657
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.714
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -1.393
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: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -56.486341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.486341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.486341 (E_RNA)
where:
Base-Base interactions energy: -25.510
where: short stacking energy: -25.510
Base-Backbone interact. energy: -0.000
local terms energy: -30.976656
where:
bonds (distance) C4'-P energy: -4.507
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -6.777
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -8.302
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: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -47.610954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.610954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.610954 (E_RNA)
where:
Base-Base interactions energy: -20.713
where: short stacking energy: -18.687
Base-Backbone interact. energy: -0.000
local terms energy: -26.898239
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -47.798101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.798101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.798101 (E_RNA)
where:
Base-Base interactions energy: -20.261
where: short stacking energy: -20.261
Base-Backbone interact. energy: -0.015
local terms energy: -27.521290
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -55.507416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.507416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.507416 (E_RNA)
where:
Base-Base interactions energy: -24.664
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.000
local terms energy: -30.843347
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -5.392
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -4.767
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: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -41.086496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.086496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.086496 (E_RNA)
where:
Base-Base interactions energy: -15.633
where: short stacking energy: -15.633
Base-Backbone interact. energy: -0.000
local terms energy: -25.453868
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -5.906
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: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -32.762394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.762394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.762394 (E_RNA)
where:
Base-Base interactions energy: -11.726
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.148
local terms energy: -20.888289
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.556
flat angles P-C4'-P energy: 0.367
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: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -36.174893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.174893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.174893 (E_RNA)
where:
Base-Base interactions energy: -13.758
where: short stacking energy: -13.758
Base-Backbone interact. energy: -0.008
local terms energy: -22.408611
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -2.447
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -37.700137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.700137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.700137 (E_RNA)
where:
Base-Base interactions energy: -14.558
where: short stacking energy: -14.558
Base-Backbone interact. energy: 0.429
local terms energy: -23.570990
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -37.409546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.409546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.409546 (E_RNA)
where:
Base-Base interactions energy: -8.597
where: short stacking energy: -6.594
Base-Backbone interact. energy: -0.001
local terms energy: -28.811488
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -38.815011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.815011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.815011 (E_RNA)
where:
Base-Base interactions energy: -14.180
where: short stacking energy: -14.180
Base-Backbone interact. energy: -0.000
local terms energy: -24.634500
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -4.505
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -2.842
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -48.256645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.256645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.256645 (E_RNA)
where:
Base-Base interactions energy: -20.007
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.000
local terms energy: -28.249245
where:
bonds (distance) C4'-P energy: -3.833
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -48.719444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.719444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.719444 (E_RNA)
where:
Base-Base interactions energy: -16.651
where: short stacking energy: -16.651
Base-Backbone interact. energy: -0.000
local terms energy: -32.068554
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -53.372675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.372675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.372675 (E_RNA)
where:
Base-Base interactions energy: -23.137
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.000
local terms energy: -30.235565
where:
bonds (distance) C4'-P energy: -4.374
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -46.367635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.367635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.367635 (E_RNA)
where:
Base-Base interactions energy: -18.057
where: short stacking energy: -18.057
Base-Backbone interact. energy: -0.001
local terms energy: -28.309596
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -42.972080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.972080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.972080 (E_RNA)
where:
Base-Base interactions energy: -15.968
where: short stacking energy: -15.968
Base-Backbone interact. energy: -0.066
local terms energy: -26.938031
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -6.547
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -39.294958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.294958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.294958 (E_RNA)
where:
Base-Base interactions energy: -12.664
where: short stacking energy: -12.664
Base-Backbone interact. energy: -0.000
local terms energy: -26.631430
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -47.311778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.311778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.311778 (E_RNA)
where:
Base-Base interactions energy: -21.844
where: short stacking energy: -21.844
Base-Backbone interact. energy: -0.042
local terms energy: -25.425504
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -4.275
flat angles C4'-P-C4' energy: -4.886
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -38.901111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.901111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.901111 (E_RNA)
where:
Base-Base interactions energy: -20.036
where: short stacking energy: -20.036
Base-Backbone interact. energy: -0.001
local terms energy: -18.864180
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -0.011
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -38.958831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.958831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.958831 (E_RNA)
where:
Base-Base interactions energy: -10.171
where: short stacking energy: -10.171
Base-Backbone interact. energy: -0.001
local terms energy: -28.787491
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -5.635
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: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -31.649320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.649320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.649320 (E_RNA)
where:
Base-Base interactions energy: -9.998
where: short stacking energy: -9.896
Base-Backbone interact. energy: -0.036
local terms energy: -21.615602
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -3.188
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -0.478
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: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -42.782402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.782402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.782402 (E_RNA)
where:
Base-Base interactions energy: -14.779
where: short stacking energy: -14.779
Base-Backbone interact. energy: -0.002
local terms energy: -28.001984
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.975
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -49.967717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.967717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.967717 (E_RNA)
where:
Base-Base interactions energy: -21.016
where: short stacking energy: -19.677
Base-Backbone interact. energy: -0.000
local terms energy: -28.951814
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -46.785539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.785539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.785539 (E_RNA)
where:
Base-Base interactions energy: -17.059
where: short stacking energy: -17.059
Base-Backbone interact. energy: -0.007
local terms energy: -29.718888
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -5.099
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -38.527398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.527398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.527398 (E_RNA)
where:
Base-Base interactions energy: -15.586
where: short stacking energy: -15.586
Base-Backbone interact. energy: -0.053
local terms energy: -22.888825
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: -2.718
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: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -47.246582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.246582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.246582 (E_RNA)
where:
Base-Base interactions energy: -23.187
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.123
local terms energy: -23.936274
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.929
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -40.994008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.994008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.994008 (E_RNA)
where:
Base-Base interactions energy: -15.893
where: short stacking energy: -15.893
Base-Backbone interact. energy: -0.118
local terms energy: -24.982615
where:
bonds (distance) C4'-P energy: -3.061
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -37.988734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.988734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.988734 (E_RNA)
where:
Base-Base interactions energy: -14.523
where: short stacking energy: -10.927
Base-Backbone interact. energy: -0.042
local terms energy: -23.423541
where:
bonds (distance) C4'-P energy: -4.846
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.538
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -36.967041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.967041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.967041 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -11.450
Base-Backbone interact. energy: -0.006
local terms energy: -26.418386
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -37.495202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.495202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.495202 (E_RNA)
where:
Base-Base interactions energy: -16.709
where: short stacking energy: -16.709
Base-Backbone interact. energy: -0.120
local terms energy: -20.665864
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -3.431
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: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -32.097027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.097027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.097027 (E_RNA)
where:
Base-Base interactions energy: -8.544
where: short stacking energy: -8.544
Base-Backbone interact. energy: -0.002
local terms energy: -23.551182
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.344
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -46.425688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.425688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.425688 (E_RNA)
where:
Base-Base interactions energy: -19.796
where: short stacking energy: -19.796
Base-Backbone interact. energy: -0.002
local terms energy: -26.627906
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -48.552115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.552115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.552115 (E_RNA)
where:
Base-Base interactions energy: -19.934
where: short stacking energy: -19.934
Base-Backbone interact. energy: -0.001
local terms energy: -28.616453
where:
bonds (distance) C4'-P energy: -4.224
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -55.244385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.244385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.244385 (E_RNA)
where:
Base-Base interactions energy: -26.752
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.008
local terms energy: -28.485022
where:
bonds (distance) C4'-P energy: -4.659
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -46.764658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.764658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.764658 (E_RNA)
where:
Base-Base interactions energy: -22.066
where: short stacking energy: -19.007
Base-Backbone interact. energy: -0.000
local terms energy: -24.698203
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -2.924
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -37.509356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.509356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.509356 (E_RNA)
where:
Base-Base interactions energy: -13.475
where: short stacking energy: -12.439
Base-Backbone interact. energy: -0.006
local terms energy: -24.027741
where:
bonds (distance) C4'-P energy: -6.515
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -0.637
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: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -44.710457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.710457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.710457 (E_RNA)
where:
Base-Base interactions energy: -14.141
where: short stacking energy: -14.141
Base-Backbone interact. energy: -0.337
local terms energy: -30.232408
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.242
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -39.017489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.017489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.017489 (E_RNA)
where:
Base-Base interactions energy: -12.056
where: short stacking energy: -10.168
Base-Backbone interact. energy: -0.002
local terms energy: -26.959471
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -34.562382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.562382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.562382 (E_RNA)
where:
Base-Base interactions energy: -12.615
where: short stacking energy: -12.615
Base-Backbone interact. energy: -0.100
local terms energy: -21.847429
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -35.839790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.839790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.839790 (E_RNA)
where:
Base-Base interactions energy: -13.513
where: short stacking energy: -13.513
Base-Backbone interact. energy: -0.000
local terms energy: -22.326827
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.089
flat angles P-C4'-P energy: -1.036
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -32.886687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.886687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.886687 (E_RNA)
where:
Base-Base interactions energy: -10.669
where: short stacking energy: -10.669
Base-Backbone interact. energy: -0.002
local terms energy: -22.216095
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -6.371
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -49.066858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.066858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.066858 (E_RNA)
where:
Base-Base interactions energy: -20.018
where: short stacking energy: -19.239
Base-Backbone interact. energy: -0.022
local terms energy: -29.026696
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.582
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -54.187417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.187417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.187417 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -20.234
Base-Backbone interact. energy: -0.000
local terms energy: -28.240893
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -3.582
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: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -46.003505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.003505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.003505 (E_RNA)
where:
Base-Base interactions energy: -16.767
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.000
local terms energy: -29.236612
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -44.517574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.517574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.517574 (E_RNA)
where:
Base-Base interactions energy: -16.174
where: short stacking energy: -15.098
Base-Backbone interact. energy: -0.000
local terms energy: -28.343785
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -5.504
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -51.344436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.344436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.344436 (E_RNA)
where:
Base-Base interactions energy: -22.049
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.000
local terms energy: -29.294887
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -49.143224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.143224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.143224 (E_RNA)
where:
Base-Base interactions energy: -23.313
where: short stacking energy: -23.313
Base-Backbone interact. energy: -0.008
local terms energy: -25.822870
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -3.161
flat angles P-C4'-P energy: -5.037
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -40.625980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.625980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.625980 (E_RNA)
where:
Base-Base interactions energy: -17.193
where: short stacking energy: -17.193
Base-Backbone interact. energy: -0.001
local terms energy: -23.432431
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -4.934
flat angles C4'-P-C4' energy: -5.050
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -2.104
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: 297
Temperature: 1.250000
Total energy: -32.679541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.679541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.679541 (E_RNA)
where:
Base-Base interactions energy: -13.310
where: short stacking energy: -13.310
Base-Backbone interact. energy: -0.003
local terms energy: -19.367164
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -4.952
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -1.991
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -35.930531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.930531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.930531 (E_RNA)
where:
Base-Base interactions energy: -12.193
where: short stacking energy: -12.193
Base-Backbone interact. energy: -0.184
local terms energy: -23.554461
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -35.769914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.769914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.769914 (E_RNA)
where:
Base-Base interactions energy: -11.264
where: short stacking energy: -11.264
Base-Backbone interact. energy: -0.043
local terms energy: -24.463262
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -2.354
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -52.953370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.953370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.953370 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -23.332
Base-Backbone interact. energy: -0.000
local terms energy: -28.372486
where:
bonds (distance) C4'-P energy: -5.438
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -46.773334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.773334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.773334 (E_RNA)
where:
Base-Base interactions energy: -22.610
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.000
local terms energy: -24.163062
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -4.393
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -1.765
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: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -43.866025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.866025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.866025 (E_RNA)
where:
Base-Base interactions energy: -17.882
where: short stacking energy: -17.882
Base-Backbone interact. energy: -0.000
local terms energy: -25.983622
where:
bonds (distance) C4'-P energy: -4.642
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -51.243962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.243962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.243962 (E_RNA)
where:
Base-Base interactions energy: -20.191
where: short stacking energy: -19.202
Base-Backbone interact. energy: -0.106
local terms energy: -30.947004
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -38.807304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.807304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.807304 (E_RNA)
where:
Base-Base interactions energy: -16.790
where: short stacking energy: -16.790
Base-Backbone interact. energy: -0.001
local terms energy: -22.015814
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -4.403
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -0.526
tors. eta vs tors. theta energy: -4.673
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: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -35.031418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.031418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.031418 (E_RNA)
where:
Base-Base interactions energy: -12.002
where: short stacking energy: -9.843
Base-Backbone interact. energy: -0.011
local terms energy: -23.018445
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -4.797
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -39.929464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.929464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.929464 (E_RNA)
where:
Base-Base interactions energy: -15.007
where: short stacking energy: -15.007
Base-Backbone interact. energy: -0.092
local terms energy: -24.830435
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -5.247
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -40.034677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.034677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.034677 (E_RNA)
where:
Base-Base interactions energy: -14.411
where: short stacking energy: -14.411
Base-Backbone interact. energy: -0.012
local terms energy: -25.612440
where:
bonds (distance) C4'-P energy: -2.261
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -34.496301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.496301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.496301 (E_RNA)
where:
Base-Base interactions energy: -13.262
where: short stacking energy: -12.212
Base-Backbone interact. energy: -0.130
local terms energy: -21.104722
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -4.596
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -1.768
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -35.716264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.716264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.716264 (E_RNA)
where:
Base-Base interactions energy: -12.747
where: short stacking energy: -8.427
Base-Backbone interact. energy: -0.644
local terms energy: -22.324612
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.480
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -53.243574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.243574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.243574 (E_RNA)
where:
Base-Base interactions energy: -23.187
where: short stacking energy: -23.187
Base-Backbone interact. energy: -0.017
local terms energy: -30.039916
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -52.436606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.436606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.436606 (E_RNA)
where:
Base-Base interactions energy: -24.380
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.000
local terms energy: -28.056343
where:
bonds (distance) C4'-P energy: -4.258
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -6.158
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: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -49.179919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.179919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.179919 (E_RNA)
where:
Base-Base interactions energy: -25.756
where: short stacking energy: -20.082
Base-Backbone interact. energy: -0.004
local terms energy: -23.420265
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -3.555
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -3.271
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: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -46.926673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.926673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.926673 (E_RNA)
where:
Base-Base interactions energy: -16.725
where: short stacking energy: -16.725
Base-Backbone interact. energy: -0.000
local terms energy: -30.201601
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -3.365
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -42.404262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.404262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.404262 (E_RNA)
where:
Base-Base interactions energy: -15.068
where: short stacking energy: -15.068
Base-Backbone interact. energy: -0.097
local terms energy: -27.238967
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -4.895
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -39.765912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.765912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.765912 (E_RNA)
where:
Base-Base interactions energy: -16.076
where: short stacking energy: -16.076
Base-Backbone interact. energy: -0.038
local terms energy: -23.651732
where:
bonds (distance) C4'-P energy: -4.909
bonds (distance) P-C4' energy: -5.023
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -2.031
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -36.916500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.916500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.916500 (E_RNA)
where:
Base-Base interactions energy: -14.412
where: short stacking energy: -14.412
Base-Backbone interact. energy: -0.000
local terms energy: -22.504082
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -2.504
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -38.929049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.929049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.929049 (E_RNA)
where:
Base-Base interactions energy: -12.980
where: short stacking energy: -11.689
Base-Backbone interact. energy: -0.106
local terms energy: -25.843216
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.618
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -36.668116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.668116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.668116 (E_RNA)
where:
Base-Base interactions energy: -12.091
where: short stacking energy: -12.091
Base-Backbone interact. energy: -0.002
local terms energy: -24.575027
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -2.938
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: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -33.671832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.671832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.671832 (E_RNA)
where:
Base-Base interactions energy: -10.447
where: short stacking energy: -10.447
Base-Backbone interact. energy: -0.403
local terms energy: -22.822217
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -3.205
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: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -54.806016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.806016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.806016 (E_RNA)
where:
Base-Base interactions energy: -23.138
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.000
local terms energy: -31.667981
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -3.828
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: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -49.144281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.144281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.144281 (E_RNA)
where:
Base-Base interactions energy: -21.576
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.002
local terms energy: -27.565810
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -46.579422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.579422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.579422 (E_RNA)
where:
Base-Base interactions energy: -17.811
where: short stacking energy: -17.811
Base-Backbone interact. energy: -0.006
local terms energy: -28.762936
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.402
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -4.996
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: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -46.858886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.858886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.858886 (E_RNA)
where:
Base-Base interactions energy: -19.473
where: short stacking energy: -17.750
Base-Backbone interact. energy: -0.000
local terms energy: -27.385472
where:
bonds (distance) C4'-P energy: -5.149
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -6.206
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -7.160
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -49.914416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.914416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.914416 (E_RNA)
where:
Base-Base interactions energy: -20.588
where: short stacking energy: -20.588
Base-Backbone interact. energy: -0.000
local terms energy: -29.326833
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -4.857
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -44.016886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.016886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.016886 (E_RNA)
where:
Base-Base interactions energy: -16.937
where: short stacking energy: -16.937
Base-Backbone interact. energy: -0.014
local terms energy: -27.066453
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -35.373807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.373807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.373807 (E_RNA)
where:
Base-Base interactions energy: -13.946
where: short stacking energy: -13.946
Base-Backbone interact. energy: -0.100
local terms energy: -21.327937
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -35.439629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.439629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.439629 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -13.606
Base-Backbone interact. energy: -0.001
local terms energy: -21.832314
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -2.083
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -35.488587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.488587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.488587 (E_RNA)
where:
Base-Base interactions energy: -11.347
where: short stacking energy: -10.416
Base-Backbone interact. energy: -0.029
local terms energy: -24.113103
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -6.081
flat angles C4'-P-C4' energy: -6.277
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -2.566
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: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -36.932959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.932959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.932959 (E_RNA)
where:
Base-Base interactions energy: -12.445
where: short stacking energy: -11.533
Base-Backbone interact. energy: -0.100
local terms energy: -24.388088
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -4.795
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -49.761755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.761755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.761755 (E_RNA)
where:
Base-Base interactions energy: -22.933
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.005
local terms energy: -26.823239
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -5.322
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: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -50.405481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.405481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.405481 (E_RNA)
where:
Base-Base interactions energy: -20.535
where: short stacking energy: -20.535
Base-Backbone interact. energy: -0.002
local terms energy: -29.868709
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.547
flat angles C4'-P-C4' energy: -5.546
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -5.579
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: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -47.871475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.871475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.871475 (E_RNA)
where:
Base-Base interactions energy: -20.470
where: short stacking energy: -20.470
Base-Backbone interact. energy: -0.006
local terms energy: -27.394832
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -45.153008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.153008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.153008 (E_RNA)
where:
Base-Base interactions energy: -21.010
where: short stacking energy: -21.010
Base-Backbone interact. energy: -0.004
local terms energy: -24.138973
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -5.961
flat angles C4'-P-C4' energy: -2.733
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -4.771
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: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -48.712839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.712839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.712839 (E_RNA)
where:
Base-Base interactions energy: -24.010
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.000
local terms energy: -24.702794
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -4.665
flat angles C4'-P-C4' energy: -2.304
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -6.956
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -39.113350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.113350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.113350 (E_RNA)
where:
Base-Base interactions energy: -12.708
where: short stacking energy: -12.708
Base-Backbone interact. energy: -0.006
local terms energy: -26.399357
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.188
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -4.322
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: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -36.640632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.640632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.640632 (E_RNA)
where:
Base-Base interactions energy: -16.929
where: short stacking energy: -15.499
Base-Backbone interact. energy: -0.002
local terms energy: -19.710373
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -2.195
flat angles C4'-P-C4' energy: -3.951
flat angles P-C4'-P energy: -3.763
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: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -37.657932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.657932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.657932 (E_RNA)
where:
Base-Base interactions energy: -14.725
where: short stacking energy: -14.725
Base-Backbone interact. energy: -0.016
local terms energy: -22.917080
where:
bonds (distance) C4'-P energy: -3.116
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -32.266595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.266595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.266595 (E_RNA)
where:
Base-Base interactions energy: -10.853
where: short stacking energy: -10.853
Base-Backbone interact. energy: -0.053
local terms energy: -21.360851
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -0.830
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -27.916808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.916808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.916808 (E_RNA)
where:
Base-Base interactions energy: -8.570
where: short stacking energy: -8.570
Base-Backbone interact. energy: -0.012
local terms energy: -19.334546
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -2.294
flat angles P-C4'-P energy: -3.868
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: 302
Temperature: 0.900000
Total energy: -54.633581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.633581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.633581 (E_RNA)
where:
Base-Base interactions energy: -25.589
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.000
local terms energy: -29.044333
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.692
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -49.700316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.700316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.700316 (E_RNA)
where:
Base-Base interactions energy: -20.011
where: short stacking energy: -20.011
Base-Backbone interact. energy: -0.000
local terms energy: -29.689708
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -7.538
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -50.013851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.013851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.013851 (E_RNA)
where:
Base-Base interactions energy: -26.143
where: short stacking energy: -21.561
Base-Backbone interact. energy: -0.000
local terms energy: -23.870791
where:
bonds (distance) C4'-P energy: -3.881
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -5.682
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -46.383721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.383721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.383721 (E_RNA)
where:
Base-Base interactions energy: -20.627
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.000
local terms energy: -25.756724
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -45.516099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.516099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.516099 (E_RNA)
where:
Base-Base interactions energy: -17.396
where: short stacking energy: -17.396
Base-Backbone interact. energy: -0.000
local terms energy: -28.119777
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.126
flat angles P-C4'-P energy: -3.197
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: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -39.840428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.840428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.840428 (E_RNA)
where:
Base-Base interactions energy: -14.640
where: short stacking energy: -12.623
Base-Backbone interact. energy: -0.055
local terms energy: -25.144994
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -43.974307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.974307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.974307 (E_RNA)
where:
Base-Base interactions energy: -17.370
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.000
local terms energy: -26.603837
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -41.096513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.096513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.096513 (E_RNA)
where:
Base-Base interactions energy: -16.385
where: short stacking energy: -16.385
Base-Backbone interact. energy: -0.000
local terms energy: -24.711284
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -1.933
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: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -33.952251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.952251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.952251 (E_RNA)
where:
Base-Base interactions energy: -12.351
where: short stacking energy: -12.351
Base-Backbone interact. energy: -0.052
local terms energy: -21.549562
where:
bonds (distance) C4'-P energy: -4.005
bonds (distance) P-C4' energy: -4.870
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -5.746
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: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -36.554737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.554737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.554737 (E_RNA)
where:
Base-Base interactions energy: -11.541
where: short stacking energy: -11.541
Base-Backbone interact. energy: -0.095
local terms energy: -24.918698
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -55.237299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.237299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.237299 (E_RNA)
where:
Base-Base interactions energy: -26.453
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.008
local terms energy: -28.775807
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -3.209
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -47.664356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.664356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.664356 (E_RNA)
where:
Base-Base interactions energy: -19.098
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.003
local terms energy: -28.563861
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -51.042366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.042366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.042366 (E_RNA)
where:
Base-Base interactions energy: -23.852
where: short stacking energy: -17.101
Base-Backbone interact. energy: -0.004
local terms energy: -27.186194
where:
bonds (distance) C4'-P energy: -4.800
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -47.296056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.296056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.296056 (E_RNA)
where:
Base-Base interactions energy: -20.122
where: short stacking energy: -20.122
Base-Backbone interact. energy: -0.000
local terms energy: -27.174032
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -43.751440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.751440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.751440 (E_RNA)
where:
Base-Base interactions energy: -16.021
where: short stacking energy: -16.021
Base-Backbone interact. energy: -0.000
local terms energy: -27.730657
where:
bonds (distance) C4'-P energy: -3.749
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -37.144243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.144243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.144243 (E_RNA)
where:
Base-Base interactions energy: -9.485
where: short stacking energy: -9.485
Base-Backbone interact. energy: -0.008
local terms energy: -27.651653
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -38.833044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.833044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.833044 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -9.080
Base-Backbone interact. energy: -0.069
local terms energy: -27.073441
where:
bonds (distance) C4'-P energy: -6.722
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -34.540176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.540176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.540176 (E_RNA)
where:
Base-Base interactions energy: -8.183
where: short stacking energy: -8.183
Base-Backbone interact. energy: -0.028
local terms energy: -26.328352
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -35.397540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.397540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.397540 (E_RNA)
where:
Base-Base interactions energy: -12.575
where: short stacking energy: -12.575
Base-Backbone interact. energy: -0.000
local terms energy: -22.822496
where:
bonds (distance) C4'-P energy: -5.778
bonds (distance) P-C4' energy: -5.882
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -34.995450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.995450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.995450 (E_RNA)
where:
Base-Base interactions energy: -12.727
where: short stacking energy: -12.727
Base-Backbone interact. energy: -0.029
local terms energy: -22.240426
where:
bonds (distance) C4'-P energy: -4.651
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -47.733585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.733585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.733585 (E_RNA)
where:
Base-Base interactions energy: -20.505
where: short stacking energy: -20.505
Base-Backbone interact. energy: -0.000
local terms energy: -27.228895
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -45.055044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.055044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.055044 (E_RNA)
where:
Base-Base interactions energy: -20.563
where: short stacking energy: -19.031
Base-Backbone interact. energy: -0.000
local terms energy: -24.492082
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -2.119
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -47.151993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.151993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.151993 (E_RNA)
where:
Base-Base interactions energy: -21.083
where: short stacking energy: -21.083
Base-Backbone interact. energy: -0.005
local terms energy: -26.063587
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -3.637
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: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -43.637968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.637968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.637968 (E_RNA)
where:
Base-Base interactions energy: -15.542
where: short stacking energy: -15.542
Base-Backbone interact. energy: -0.000
local terms energy: -28.095883
where:
bonds (distance) C4'-P energy: -6.660
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -3.510
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -44.956252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.956252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.956252 (E_RNA)
where:
Base-Base interactions energy: -19.181
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.011
local terms energy: -25.763642
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -38.599722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.599722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.599722 (E_RNA)
where:
Base-Base interactions energy: -13.539
where: short stacking energy: -13.539
Base-Backbone interact. energy: -0.014
local terms energy: -25.046616
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -40.108164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.108164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.108164 (E_RNA)
where:
Base-Base interactions energy: -12.560
where: short stacking energy: -11.850
Base-Backbone interact. energy: -0.021
local terms energy: -27.526900
where:
bonds (distance) C4'-P energy: -5.778
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -36.772809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.772809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.772809 (E_RNA)
where:
Base-Base interactions energy: -14.820
where: short stacking energy: -14.820
Base-Backbone interact. energy: -0.000
local terms energy: -21.953037
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -4.691
flat angles C4'-P-C4' energy: -3.128
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -36.482709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.482709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.482709 (E_RNA)
where:
Base-Base interactions energy: -13.027
where: short stacking energy: -13.027
Base-Backbone interact. energy: -0.000
local terms energy: -23.456115
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -3.756
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -43.392603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.392603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.392603 (E_RNA)
where:
Base-Base interactions energy: -12.935
where: short stacking energy: -12.935
Base-Backbone interact. energy: -0.102
local terms energy: -30.355817
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.774
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -4.822
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: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -49.012727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.012727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.012727 (E_RNA)
where:
Base-Base interactions energy: -21.080
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.005
local terms energy: -27.927891
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -51.444218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.444218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.444218 (E_RNA)
where:
Base-Base interactions energy: -21.372
where: short stacking energy: -20.844
Base-Backbone interact. energy: -0.785
local terms energy: -29.286623
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -43.799228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.799228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.799228 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.022
local terms energy: -21.615420
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -2.266
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -5.067
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -48.034209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.034209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.034209 (E_RNA)
where:
Base-Base interactions energy: -24.034
where: short stacking energy: -17.771
Base-Backbone interact. energy: -0.002
local terms energy: -23.998477
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -3.814
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -39.758169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.758169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.758169 (E_RNA)
where:
Base-Base interactions energy: -13.040
where: short stacking energy: -13.040
Base-Backbone interact. energy: -0.101
local terms energy: -26.617710
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -4.675
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: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -38.359815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.359815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.359815 (E_RNA)
where:
Base-Base interactions energy: -14.164
where: short stacking energy: -14.164
Base-Backbone interact. energy: -0.046
local terms energy: -24.149840
where:
bonds (distance) C4'-P energy: -3.488
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -3.603
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: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -40.346844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.346844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.346844 (E_RNA)
where:
Base-Base interactions energy: -18.163
where: short stacking energy: -18.163
Base-Backbone interact. energy: -0.000
local terms energy: -22.183456
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -1.228
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: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -34.549767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.549767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.549767 (E_RNA)
where:
Base-Base interactions energy: -10.155
where: short stacking energy: -8.253
Base-Backbone interact. energy: -0.124
local terms energy: -24.270687
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -4.019
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: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -33.519695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.519695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.519695 (E_RNA)
where:
Base-Base interactions energy: -9.513
where: short stacking energy: -9.513
Base-Backbone interact. energy: -0.024
local terms energy: -23.982622
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -32.175334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.175334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.175334 (E_RNA)
where:
Base-Base interactions energy: -12.313
where: short stacking energy: -11.904
Base-Backbone interact. energy: -0.072
local terms energy: -19.789886
where:
bonds (distance) C4'-P energy: -5.369
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -1.817
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -53.967557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.967557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.967557 (E_RNA)
where:
Base-Base interactions energy: -25.996
where: short stacking energy: -21.933
Base-Backbone interact. energy: -0.000
local terms energy: -27.970730
where:
bonds (distance) C4'-P energy: -5.674
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.913
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -45.115554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.115554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.115554 (E_RNA)
where:
Base-Base interactions energy: -15.592
where: short stacking energy: -14.956
Base-Backbone interact. energy: -0.000
local terms energy: -29.523712
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -4.229
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: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -54.885350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.885350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.885350 (E_RNA)
where:
Base-Base interactions energy: -22.786
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.000
local terms energy: -32.099473
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -42.147483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.147483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.147483 (E_RNA)
where:
Base-Base interactions energy: -15.165
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.015
local terms energy: -26.967262
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -41.498830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.498830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.498830 (E_RNA)
where:
Base-Base interactions energy: -17.529
where: short stacking energy: -13.325
Base-Backbone interact. energy: -0.031
local terms energy: -23.939153
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -40.661492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.661492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.661492 (E_RNA)
where:
Base-Base interactions energy: -16.835
where: short stacking energy: -16.835
Base-Backbone interact. energy: -0.002
local terms energy: -23.825121
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -1.484
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -35.735639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.735639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.735639 (E_RNA)
where:
Base-Base interactions energy: -13.621
where: short stacking energy: -13.621
Base-Backbone interact. energy: -0.039
local terms energy: -22.075696
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -3.527
flat angles C4'-P-C4' energy: -6.342
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -34.408176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.408176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.408176 (E_RNA)
where:
Base-Base interactions energy: -12.825
where: short stacking energy: -12.314
Base-Backbone interact. energy: -0.123
local terms energy: -21.460628
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.059
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -37.178988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.178988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.178988 (E_RNA)
where:
Base-Base interactions energy: -14.327
where: short stacking energy: -14.071
Base-Backbone interact. energy: -0.001
local terms energy: -22.850637
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -4.829
flat angles C4'-P-C4' energy: -6.513
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -3.366
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: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -29.852147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.852147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.852147 (E_RNA)
where:
Base-Base interactions energy: -9.171
where: short stacking energy: -9.171
Base-Backbone interact. energy: -0.011
local terms energy: -20.669899
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -1.211
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -56.363618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.363618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.363618 (E_RNA)
where:
Base-Base interactions energy: -27.684
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.000
local terms energy: -28.679379
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.290
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -56.613041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.613041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.613041 (E_RNA)
where:
Base-Base interactions energy: -26.688
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.000
local terms energy: -29.924750
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -45.609355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.609355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.609355 (E_RNA)
where:
Base-Base interactions energy: -19.093
where: short stacking energy: -19.093
Base-Backbone interact. energy: -0.000
local terms energy: -26.516553
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -3.959
flat angles C4'-P-C4' energy: -7.005
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -39.965954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.965954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.965954 (E_RNA)
where:
Base-Base interactions energy: -14.704
where: short stacking energy: -14.353
Base-Backbone interact. energy: -0.004
local terms energy: -25.257210
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -37.187051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.187051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.187051 (E_RNA)
where:
Base-Base interactions energy: -15.427
where: short stacking energy: -15.427
Base-Backbone interact. energy: -0.006
local terms energy: -21.754502
where:
bonds (distance) C4'-P energy: -3.967
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -46.193356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.193356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.193356 (E_RNA)
where:
Base-Base interactions energy: -18.471
where: short stacking energy: -18.471
Base-Backbone interact. energy: -0.000
local terms energy: -27.722596
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -6.360
flat angles C4'-P-C4' energy: -5.641
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -42.442367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.442367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.442367 (E_RNA)
where:
Base-Base interactions energy: -17.010
where: short stacking energy: -17.010
Base-Backbone interact. energy: -0.005
local terms energy: -25.427270
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -5.487
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -2.763
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -34.756502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.756502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.756502 (E_RNA)
where:
Base-Base interactions energy: -11.502
where: short stacking energy: -11.502
Base-Backbone interact. energy: -0.016
local terms energy: -23.238081
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -2.283
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: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -33.202137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.202137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.202137 (E_RNA)
where:
Base-Base interactions energy: -13.915
where: short stacking energy: -13.308
Base-Backbone interact. energy: -0.243
local terms energy: -19.044170
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -6.061
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -34.801003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.801003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.801003 (E_RNA)
where:
Base-Base interactions energy: -11.747
where: short stacking energy: -11.747
Base-Backbone interact. energy: -0.096
local terms energy: -22.957405
where:
bonds (distance) C4'-P energy: -3.596
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -54.537329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.537329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.537329 (E_RNA)
where:
Base-Base interactions energy: -26.196
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.019
local terms energy: -28.322107
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -46.195467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.195467 (E_RNA)
where:
Base-Base interactions energy: -20.791
where: short stacking energy: -20.791
Base-Backbone interact. energy: -0.000
local terms energy: -25.404671
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -6.225
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -48.303382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.303382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.303382 (E_RNA)
where:
Base-Base interactions energy: -20.860
where: short stacking energy: -20.860
Base-Backbone interact. energy: -0.000
local terms energy: -27.442679
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -5.406
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: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -40.155966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.155966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.155966 (E_RNA)
where:
Base-Base interactions energy: -11.903
where: short stacking energy: -11.903
Base-Backbone interact. energy: -0.007
local terms energy: -28.245679
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.024
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -55.199920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.199920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.199920 (E_RNA)
where:
Base-Base interactions energy: -24.248
where: short stacking energy: -19.579
Base-Backbone interact. energy: -0.000
local terms energy: -30.951223
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.023
flat angles C4'-P-C4' energy: -6.759
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -33.418980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.418980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.418980 (E_RNA)
where:
Base-Base interactions energy: -15.915
where: short stacking energy: -11.248
Base-Backbone interact. energy: -0.100
local terms energy: -17.403378
where:
bonds (distance) C4'-P energy: -5.636
bonds (distance) P-C4' energy: -4.599
flat angles C4'-P-C4' energy: -3.018
flat angles P-C4'-P energy: -2.939
tors. eta vs tors. theta energy: -1.211
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: 308
Temperature: 1.200000
Total energy: -44.797588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.797588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.797588 (E_RNA)
where:
Base-Base interactions energy: -18.825
where: short stacking energy: -18.161
Base-Backbone interact. energy: -0.022
local terms energy: -25.951099
where:
bonds (distance) C4'-P energy: -3.645
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -34.263869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.263869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.263869 (E_RNA)
where:
Base-Base interactions energy: -12.035
where: short stacking energy: -12.035
Base-Backbone interact. energy: -0.033
local terms energy: -22.195498
where:
bonds (distance) C4'-P energy: -4.543
bonds (distance) P-C4' energy: -5.397
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -32.755366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.755366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.755366 (E_RNA)
where:
Base-Base interactions energy: -10.379
where: short stacking energy: -10.379
Base-Backbone interact. energy: -0.000
local terms energy: -22.376046
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -34.942841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.942841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.942841 (E_RNA)
where:
Base-Base interactions energy: -9.556
where: short stacking energy: -9.556
Base-Backbone interact. energy: -0.000
local terms energy: -25.386908
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -59.031462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.031462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.031462 (E_RNA)
where:
Base-Base interactions energy: -28.385
where: short stacking energy: -21.939
Base-Backbone interact. energy: -0.000
local terms energy: -30.646025
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -5.928
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: 309
Temperature: 0.950000
Total energy: -52.761653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.761653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.761653 (E_RNA)
where:
Base-Base interactions energy: -25.463
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.000
local terms energy: -27.298875
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.339
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -3.833
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: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -48.330080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.330080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.330080 (E_RNA)
where:
Base-Base interactions energy: -22.443
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.000
local terms energy: -25.886422
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -7.150
flat angles P-C4'-P energy: -1.484
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -43.661054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.661054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.661054 (E_RNA)
where:
Base-Base interactions energy: -18.599
where: short stacking energy: -18.599
Base-Backbone interact. energy: -0.039
local terms energy: -25.022815
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -5.443
flat angles C4'-P-C4' energy: -5.865
flat angles P-C4'-P energy: -4.446
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: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -46.694575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.694575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.694575 (E_RNA)
where:
Base-Base interactions energy: -17.803
where: short stacking energy: -17.803
Base-Backbone interact. energy: -0.001
local terms energy: -28.890648
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.079
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -5.320
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: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -36.598144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.598144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.598144 (E_RNA)
where:
Base-Base interactions energy: -14.238
where: short stacking energy: -12.748
Base-Backbone interact. energy: -0.004
local terms energy: -22.355823
where:
bonds (distance) C4'-P energy: -4.465
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.005
flat angles P-C4'-P energy: -5.625
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: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -45.342274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.342274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.342274 (E_RNA)
where:
Base-Base interactions energy: -17.631
where: short stacking energy: -17.631
Base-Backbone interact. energy: -0.002
local terms energy: -27.708999
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -6.074
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -39.086492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.086492 (E_RNA)
where:
Base-Base interactions energy: -15.019
where: short stacking energy: -15.019
Base-Backbone interact. energy: -0.000
local terms energy: -24.066682
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -2.656
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -31.844660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.844660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.844660 (E_RNA)
where:
Base-Base interactions energy: -8.746
where: short stacking energy: -8.293
Base-Backbone interact. energy: -0.001
local terms energy: -23.097341
where:
bonds (distance) C4'-P energy: -4.784
bonds (distance) P-C4' energy: -4.716
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -37.288098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.288098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.288098 (E_RNA)
where:
Base-Base interactions energy: -14.356
where: short stacking energy: -14.356
Base-Backbone interact. energy: -0.047
local terms energy: -22.885347
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -6.414
flat angles P-C4'-P energy: -3.079
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: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -52.718085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.718085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.718085 (E_RNA)
where:
Base-Base interactions energy: -23.817
where: short stacking energy: -24.171
Base-Backbone interact. energy: -0.001
local terms energy: -28.900550
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -3.458
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -52.560322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.560322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.560322 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -21.157
Base-Backbone interact. energy: -0.000
local terms energy: -30.270831
where:
bonds (distance) C4'-P energy: -4.286
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -6.249
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: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -48.941323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.941323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.941323 (E_RNA)
where:
Base-Base interactions energy: -20.850
where: short stacking energy: -19.077
Base-Backbone interact. energy: -0.002
local terms energy: -28.090001
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -4.412
flat angles C4'-P-C4' energy: -7.163
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -41.914652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.914652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.914652 (E_RNA)
where:
Base-Base interactions energy: -17.490
where: short stacking energy: -17.490
Base-Backbone interact. energy: -0.003
local terms energy: -24.422296
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -44.231482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.231482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.231482 (E_RNA)
where:
Base-Base interactions energy: -17.754
where: short stacking energy: -17.529
Base-Backbone interact. energy: -0.000
local terms energy: -26.477024
where:
bonds (distance) C4'-P energy: -4.602
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -40.700719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.700719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.700719 (E_RNA)
where:
Base-Base interactions energy: -15.014
where: short stacking energy: -15.014
Base-Backbone interact. energy: -0.087
local terms energy: -25.599767
where:
bonds (distance) C4'-P energy: -3.852
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -40.077663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.077663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.077663 (E_RNA)
where:
Base-Base interactions energy: -19.485
where: short stacking energy: -19.485
Base-Backbone interact. energy: -0.000
local terms energy: -20.592229
where:
bonds (distance) C4'-P energy: -3.595
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -0.679
tors. eta vs tors. theta energy: -5.027
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: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -40.227448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.227448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.227448 (E_RNA)
where:
Base-Base interactions energy: -16.585
where: short stacking energy: -16.585
Base-Backbone interact. energy: -0.001
local terms energy: -23.641060
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -30.301922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.301922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.301922 (E_RNA)
where:
Base-Base interactions energy: -7.274
where: short stacking energy: -7.274
Base-Backbone interact. energy: -0.110
local terms energy: -22.917120
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -4.225
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: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -31.786388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.786388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.786388 (E_RNA)
where:
Base-Base interactions energy: -8.366
where: short stacking energy: -8.366
Base-Backbone interact. energy: -0.065
local terms energy: -23.355639
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -60.338387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.338387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.338387 (E_RNA)
where:
Base-Base interactions energy: -28.622
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.000
local terms energy: -31.716826
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.450
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -58.516380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.516380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.516380 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.006
local terms energy: -32.914248
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -5.796
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: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -53.898376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.898376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.898376 (E_RNA)
where:
Base-Base interactions energy: -24.882
where: short stacking energy: -24.856
Base-Backbone interact. energy: -0.000
local terms energy: -29.015998
where:
bonds (distance) C4'-P energy: -2.494
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -46.564488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.564488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.564488 (E_RNA)
where:
Base-Base interactions energy: -21.707
where: short stacking energy: -20.683
Base-Backbone interact. energy: -0.014
local terms energy: -24.842782
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -5.055
flat angles C4'-P-C4' energy: -4.617
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -42.019828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.019828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.019828 (E_RNA)
where:
Base-Base interactions energy: -16.011
where: short stacking energy: -14.564
Base-Backbone interact. energy: -0.016
local terms energy: -25.992664
where:
bonds (distance) C4'-P energy: -2.705
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.737
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -36.513621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.513621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.513621 (E_RNA)
where:
Base-Base interactions energy: -11.693
where: short stacking energy: -8.196
Base-Backbone interact. energy: -0.063
local terms energy: -24.758346
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -43.168616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.168616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.168616 (E_RNA)
where:
Base-Base interactions energy: -19.807
where: short stacking energy: -19.807
Base-Backbone interact. energy: -0.000
local terms energy: -23.361461
where:
bonds (distance) C4'-P energy: -3.865
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -31.064194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.064194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.064194 (E_RNA)
where:
Base-Base interactions energy: -10.741
where: short stacking energy: -10.741
Base-Backbone interact. energy: -0.115
local terms energy: -20.207798
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -1.689
flat angles P-C4'-P energy: -4.646
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: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -34.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.580466 (E_RNA)
where:
Base-Base interactions energy: -10.461
where: short stacking energy: -10.461
Base-Backbone interact. energy: -0.080
local terms energy: -24.039475
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -3.148
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -2.733
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: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -34.958672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.958672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.958672 (E_RNA)
where:
Base-Base interactions energy: -11.209
where: short stacking energy: -11.209
Base-Backbone interact. energy: -0.041
local terms energy: -23.708470
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -0.766
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: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -49.584192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.584192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.584192 (E_RNA)
where:
Base-Base interactions energy: -20.478
where: short stacking energy: -20.478
Base-Backbone interact. energy: -0.000
local terms energy: -29.106365
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.220
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -46.019808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.019808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.019808 (E_RNA)
where:
Base-Base interactions energy: -16.942
where: short stacking energy: -16.942
Base-Backbone interact. energy: -0.000
local terms energy: -29.078071
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -6.585
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -43.069082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.069082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.069082 (E_RNA)
where:
Base-Base interactions energy: -16.515
where: short stacking energy: -16.515
Base-Backbone interact. energy: -1.073
local terms energy: -25.481031
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.048
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -43.410792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.410792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.410792 (E_RNA)
where:
Base-Base interactions energy: -19.189
where: short stacking energy: -14.249
Base-Backbone interact. energy: -0.014
local terms energy: -24.208221
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -39.087526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.087526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.087526 (E_RNA)
where:
Base-Base interactions energy: -12.968
where: short stacking energy: -12.968
Base-Backbone interact. energy: -0.029
local terms energy: -26.090719
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -5.899
flat angles P-C4'-P energy: -4.551
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: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -39.770146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.770146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.770146 (E_RNA)
where:
Base-Base interactions energy: -14.422
where: short stacking energy: -14.422
Base-Backbone interact. energy: -0.029
local terms energy: -25.319966
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.944
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -3.637
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: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -38.245466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.245466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.245466 (E_RNA)
where:
Base-Base interactions energy: -10.820
where: short stacking energy: -10.820
Base-Backbone interact. energy: -0.085
local terms energy: -27.340538
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -41.008636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.008636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.008636 (E_RNA)
where:
Base-Base interactions energy: -17.176
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.003
local terms energy: -23.829886
where:
bonds (distance) C4'-P energy: -2.909
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.791
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -37.979442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.979442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.979442 (E_RNA)
where:
Base-Base interactions energy: -14.060
where: short stacking energy: -14.060
Base-Backbone interact. energy: -0.004
local terms energy: -23.915918
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -32.802652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.802652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.802652 (E_RNA)
where:
Base-Base interactions energy: -11.955
where: short stacking energy: -11.955
Base-Backbone interact. energy: -0.004
local terms energy: -20.843147
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -0.912
tors. eta vs tors. theta energy: -3.727
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: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -51.758422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.758422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.758422 (E_RNA)
where:
Base-Base interactions energy: -24.494
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.013
local terms energy: -27.251769
where:
bonds (distance) C4'-P energy: -5.023
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.646
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -7.010
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -48.550489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.550489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.550489 (E_RNA)
where:
Base-Base interactions energy: -21.392
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.000
local terms energy: -27.157544
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -44.715659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.715659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.715659 (E_RNA)
where:
Base-Base interactions energy: -16.950
where: short stacking energy: -16.950
Base-Backbone interact. energy: -0.005
local terms energy: -27.760288
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.693
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -4.493
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: 313
Temperature: 1.050000
Total energy: -49.294229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.294229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.294229 (E_RNA)
where:
Base-Base interactions energy: -22.228
where: short stacking energy: -19.823
Base-Backbone interact. energy: -0.078
local terms energy: -26.988709
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.161
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -41.198845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.198845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.198845 (E_RNA)
where:
Base-Base interactions energy: -21.724
where: short stacking energy: -21.724
Base-Backbone interact. energy: -0.002
local terms energy: -19.472932
where:
bonds (distance) C4'-P energy: -3.074
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -3.587
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -44.870172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.870172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.870172 (E_RNA)
where:
Base-Base interactions energy: -18.799
where: short stacking energy: -18.799
Base-Backbone interact. energy: -0.000
local terms energy: -26.070915
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -5.605
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: 313
Temperature: 1.200000
Total energy: -36.211126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.211126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.211126 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -11.895
Base-Backbone interact. energy: -0.008
local terms energy: -24.307460
where:
bonds (distance) C4'-P energy: -4.217
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -30.209457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.209457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.209457 (E_RNA)
where:
Base-Base interactions energy: -8.524
where: short stacking energy: -8.524
Base-Backbone interact. energy: -0.039
local terms energy: -21.646795
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -39.859745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.859745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.859745 (E_RNA)
where:
Base-Base interactions energy: -15.384
where: short stacking energy: -13.481
Base-Backbone interact. energy: -0.006
local terms energy: -24.469675
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -33.012338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.012338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.012338 (E_RNA)
where:
Base-Base interactions energy: -9.293
where: short stacking energy: -9.293
Base-Backbone interact. energy: -0.364
local terms energy: -23.354761
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -3.296
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: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -41.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.853707 (E_RNA)
where:
Base-Base interactions energy: -15.126
where: short stacking energy: -15.126
Base-Backbone interact. energy: -0.057
local terms energy: -26.671648
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -2.286
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: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -47.513641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.513641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.513641 (E_RNA)
where:
Base-Base interactions energy: -21.050
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.097
local terms energy: -26.366973
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -5.329
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -55.012289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.012289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.012289 (E_RNA)
where:
Base-Base interactions energy: -24.188
where: short stacking energy: -24.188
Base-Backbone interact. energy: -0.000
local terms energy: -30.824087
where:
bonds (distance) C4'-P energy: -6.784
bonds (distance) P-C4' energy: -5.994
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -3.424
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -49.591846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.591846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.591846 (E_RNA)
where:
Base-Base interactions energy: -19.356
where: short stacking energy: -19.356
Base-Backbone interact. energy: -0.008
local terms energy: -30.228553
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -7.573
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -42.100028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.100028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.100028 (E_RNA)
where:
Base-Base interactions energy: -14.905
where: short stacking energy: -14.905
Base-Backbone interact. energy: -0.000
local terms energy: -27.194607
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -4.048
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -41.644546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.644546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.644546 (E_RNA)
where:
Base-Base interactions energy: -12.305
where: short stacking energy: -12.305
Base-Backbone interact. energy: -0.001
local terms energy: -29.338700
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -6.111
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: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -41.219440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.219440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.219440 (E_RNA)
where:
Base-Base interactions energy: -13.614
where: short stacking energy: -11.086
Base-Backbone interact. energy: -0.001
local terms energy: -27.604677
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.252
flat angles C4'-P-C4' energy: -6.510
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -2.707
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: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -34.084520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.084520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.084520 (E_RNA)
where:
Base-Base interactions energy: -13.972
where: short stacking energy: -12.170
Base-Backbone interact. energy: 0.724
local terms energy: -20.835785
where:
bonds (distance) C4'-P energy: -3.960
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -6.524
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -31.794164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.794164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.794164 (E_RNA)
where:
Base-Base interactions energy: -6.106
where: short stacking energy: -4.140
Base-Backbone interact. energy: 0.600
local terms energy: -26.288113
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -5.388
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -33.440295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.440295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.440295 (E_RNA)
where:
Base-Base interactions energy: -9.449
where: short stacking energy: -9.449
Base-Backbone interact. energy: -0.035
local terms energy: -23.956450
where:
bonds (distance) C4'-P energy: -3.690
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -51.834985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.834985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.834985 (E_RNA)
where:
Base-Base interactions energy: -18.030
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.000
local terms energy: -33.804518
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -54.318737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.318737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.318737 (E_RNA)
where:
Base-Base interactions energy: -26.091
where: short stacking energy: -24.333
Base-Backbone interact. energy: -0.012
local terms energy: -28.215128
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.373
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -48.362758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.362758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.362758 (E_RNA)
where:
Base-Base interactions energy: -21.199
where: short stacking energy: -21.199
Base-Backbone interact. energy: -0.000
local terms energy: -27.163656
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -43.112877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.112877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.112877 (E_RNA)
where:
Base-Base interactions energy: -16.323
where: short stacking energy: -14.941
Base-Backbone interact. energy: -0.042
local terms energy: -26.747550
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -43.144965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.144965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.144965 (E_RNA)
where:
Base-Base interactions energy: -19.447
where: short stacking energy: -15.717
Base-Backbone interact. energy: -0.001
local terms energy: -23.696365
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -3.604
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -37.209560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.209560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.209560 (E_RNA)
where:
Base-Base interactions energy: -13.630
where: short stacking energy: -13.630
Base-Backbone interact. energy: -0.000
local terms energy: -23.579919
where:
bonds (distance) C4'-P energy: -2.648
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -6.369
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -37.181558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.181558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.181558 (E_RNA)
where:
Base-Base interactions energy: -13.596
where: short stacking energy: -11.845
Base-Backbone interact. energy: -0.001
local terms energy: -23.584184
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -3.757
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -36.686287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.686287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.686287 (E_RNA)
where:
Base-Base interactions energy: -11.735
where: short stacking energy: -9.546
Base-Backbone interact. energy: -0.004
local terms energy: -24.947300
where:
bonds (distance) C4'-P energy: -4.572
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.647
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -42.549616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.549616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.549616 (E_RNA)
where:
Base-Base interactions energy: -22.863
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.000
local terms energy: -19.686774
where:
bonds (distance) C4'-P energy: -5.371
bonds (distance) P-C4' energy: -0.485
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -6.903
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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -28.017214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.017214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.017214 (E_RNA)
where:
Base-Base interactions energy: -8.529
where: short stacking energy: -8.529
Base-Backbone interact. energy: -0.007
local terms energy: -19.480929
where:
bonds (distance) C4'-P energy: -2.697
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -4.636
flat angles P-C4'-P energy: -4.305
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: 316
Temperature: 0.900000
Total energy: -55.795770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.795770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.795770 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.000
local terms energy: -31.159849
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -55.783971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.783971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.783971 (E_RNA)
where:
Base-Base interactions energy: -24.544
where: short stacking energy: -24.544
Base-Backbone interact. energy: -0.000
local terms energy: -31.239709
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -7.415
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -46.980591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.980591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.980591 (E_RNA)
where:
Base-Base interactions energy: -18.209
where: short stacking energy: -18.209
Base-Backbone interact. energy: -0.003
local terms energy: -28.768570
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -54.270804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.270804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.270804 (E_RNA)
where:
Base-Base interactions energy: -23.011
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.000
local terms energy: -31.260212
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -42.589889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.589889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.589889 (E_RNA)
where:
Base-Base interactions energy: -14.529
where: short stacking energy: -14.529
Base-Backbone interact. energy: -0.000
local terms energy: -28.061277
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -48.656795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.656795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.656795 (E_RNA)
where:
Base-Base interactions energy: -20.353
where: short stacking energy: -20.353
Base-Backbone interact. energy: -0.000
local terms energy: -28.303776
where:
bonds (distance) C4'-P energy: -5.703
bonds (distance) P-C4' energy: -4.476
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -34.545458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.545458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.545458 (E_RNA)
where:
Base-Base interactions energy: -11.411
where: short stacking energy: -10.999
Base-Backbone interact. energy: -0.092
local terms energy: -23.042102
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: 0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -35.603055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.603055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.603055 (E_RNA)
where:
Base-Base interactions energy: -12.445
where: short stacking energy: -12.445
Base-Backbone interact. energy: 0.279
local terms energy: -23.437617
where:
bonds (distance) C4'-P energy: -5.061
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -41.723096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.723096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.723096 (E_RNA)
where:
Base-Base interactions energy: -19.615
where: short stacking energy: -17.408
Base-Backbone interact. energy: -0.000
local terms energy: -22.108309
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -4.830
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -31.161374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.161374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.161374 (E_RNA)
where:
Base-Base interactions energy: -8.521
where: short stacking energy: -8.521
Base-Backbone interact. energy: -0.574
local terms energy: -22.065612
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -54.108238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.108238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.108238 (E_RNA)
where:
Base-Base interactions energy: -23.232
where: short stacking energy: -23.232
Base-Backbone interact. energy: -0.000
local terms energy: -30.875932
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -49.502451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.502451 (E_RNA)
where:
Base-Base interactions energy: -19.540
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.002
local terms energy: -29.960412
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -47.055621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.055621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.055621 (E_RNA)
where:
Base-Base interactions energy: -19.051
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.002
local terms energy: -28.002758
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.096
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -44.177496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.177496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.177496 (E_RNA)
where:
Base-Base interactions energy: -20.673
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.002
local terms energy: -23.502643
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -47.630803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.630803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.630803 (E_RNA)
where:
Base-Base interactions energy: -18.177
where: short stacking energy: -16.725
Base-Backbone interact. energy: -0.001
local terms energy: -29.453265
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -7.274
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -43.784263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.784263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.784263 (E_RNA)
where:
Base-Base interactions energy: -19.610
where: short stacking energy: -19.610
Base-Backbone interact. energy: -0.068
local terms energy: -24.106089
where:
bonds (distance) C4'-P energy: -5.235
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -2.204
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: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -35.474024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.474024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.474024 (E_RNA)
where:
Base-Base interactions energy: -7.436
where: short stacking energy: -7.436
Base-Backbone interact. energy: -0.000
local terms energy: -28.037983
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -36.045398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.045398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.045398 (E_RNA)
where:
Base-Base interactions energy: -12.878
where: short stacking energy: -12.878
Base-Backbone interact. energy: -0.025
local terms energy: -23.142910
where:
bonds (distance) C4'-P energy: -4.891
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -2.443
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: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -31.738600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.738600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.738600 (E_RNA)
where:
Base-Base interactions energy: -8.260
where: short stacking energy: -7.797
Base-Backbone interact. energy: -0.278
local terms energy: -23.200153
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -30.444636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.444636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.444636 (E_RNA)
where:
Base-Base interactions energy: -6.927
where: short stacking energy: -6.927
Base-Backbone interact. energy: -0.000
local terms energy: -23.517766
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -3.904
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -56.742470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.742470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.742470 (E_RNA)
where:
Base-Base interactions energy: -25.651
where: short stacking energy: -25.651
Base-Backbone interact. energy: -0.000
local terms energy: -31.091640
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -3.978
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: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -55.044556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.044556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.044556 (E_RNA)
where:
Base-Base interactions energy: -25.081
where: short stacking energy: -24.389
Base-Backbone interact. energy: -0.026
local terms energy: -29.937843
where:
bonds (distance) C4'-P energy: -4.361
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -51.614562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.614562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.614562 (E_RNA)
where:
Base-Base interactions energy: -22.219
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.000
local terms energy: -29.394959
where:
bonds (distance) C4'-P energy: -5.223
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -7.209
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -41.312624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.312624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.312624 (E_RNA)
where:
Base-Base interactions energy: -17.860
where: short stacking energy: -17.860
Base-Backbone interact. energy: -0.000
local terms energy: -23.452608
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -4.741
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -43.180146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.180146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.180146 (E_RNA)
where:
Base-Base interactions energy: -22.552
where: short stacking energy: -16.125
Base-Backbone interact. energy: 0.204
local terms energy: -20.831542
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -3.455
flat angles C4'-P-C4' energy: -3.320
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -38.258588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.258588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.258588 (E_RNA)
where:
Base-Base interactions energy: -12.005
where: short stacking energy: -12.005
Base-Backbone interact. energy: -0.091
local terms energy: -26.162357
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -3.334
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: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -37.983564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.983564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.983564 (E_RNA)
where:
Base-Base interactions energy: -13.508
where: short stacking energy: -13.508
Base-Backbone interact. energy: -0.015
local terms energy: -24.460277
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -39.676983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.676983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.676983 (E_RNA)
where:
Base-Base interactions energy: -15.460
where: short stacking energy: -15.460
Base-Backbone interact. energy: -0.093
local terms energy: -24.124308
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -34.245885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.245885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.245885 (E_RNA)
where:
Base-Base interactions energy: -15.210
where: short stacking energy: -15.210
Base-Backbone interact. energy: -0.000
local terms energy: -19.035793
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -0.150
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -33.638094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.638094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.638094 (E_RNA)
where:
Base-Base interactions energy: -11.744
where: short stacking energy: -11.744
Base-Backbone interact. energy: -0.000
local terms energy: -21.893569
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -1.467
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -45.874592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.874592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.874592 (E_RNA)
where:
Base-Base interactions energy: -19.395
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.096
local terms energy: -26.382786
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.894
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -49.581532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.581532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.581532 (E_RNA)
where:
Base-Base interactions energy: -23.613
where: short stacking energy: -23.589
Base-Backbone interact. energy: -0.000
local terms energy: -25.967908
where:
bonds (distance) C4'-P energy: -2.813
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -3.320
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -44.403116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.403116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.403116 (E_RNA)
where:
Base-Base interactions energy: -18.892
where: short stacking energy: -18.892
Base-Backbone interact. energy: -0.000
local terms energy: -25.511389
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -5.631
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -5.198
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -44.356977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.356977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.356977 (E_RNA)
where:
Base-Base interactions energy: -17.476
where: short stacking energy: -17.313
Base-Backbone interact. energy: -0.061
local terms energy: -26.820382
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -4.840
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: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -41.641971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.641971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.641971 (E_RNA)
where:
Base-Base interactions energy: -18.463
where: short stacking energy: -18.463
Base-Backbone interact. energy: -0.001
local terms energy: -23.178214
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -2.406
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -44.572023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.572023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.572023 (E_RNA)
where:
Base-Base interactions energy: -19.348
where: short stacking energy: -19.348
Base-Backbone interact. energy: -0.000
local terms energy: -25.224428
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -3.103
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -35.123079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.123079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.123079 (E_RNA)
where:
Base-Base interactions energy: -13.454
where: short stacking energy: -13.454
Base-Backbone interact. energy: -0.133
local terms energy: -21.536072
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: 0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -45.692479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.692479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.692479 (E_RNA)
where:
Base-Base interactions energy: -18.742
where: short stacking energy: -18.742
Base-Backbone interact. energy: -0.000
local terms energy: -26.950051
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -0.990
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -36.687628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.687628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.687628 (E_RNA)
where:
Base-Base interactions energy: -12.906
where: short stacking energy: -12.906
Base-Backbone interact. energy: -0.000
local terms energy: -23.781220
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -35.626707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.626707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.626707 (E_RNA)
where:
Base-Base interactions energy: -10.202
where: short stacking energy: -8.891
Base-Backbone interact. energy: -0.100
local terms energy: -25.323897
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -5.790
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -3.687
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: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -53.299304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.299304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.299304 (E_RNA)
where:
Base-Base interactions energy: -19.119
where: short stacking energy: -18.205
Base-Backbone interact. energy: -0.000
local terms energy: -34.179921
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -48.107975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.107975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.107975 (E_RNA)
where:
Base-Base interactions energy: -18.984
where: short stacking energy: -18.984
Base-Backbone interact. energy: -0.001
local terms energy: -29.123489
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -5.945
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: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -51.823245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.823245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.823245 (E_RNA)
where:
Base-Base interactions energy: -23.183
where: short stacking energy: -23.183
Base-Backbone interact. energy: -0.018
local terms energy: -28.622592
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -48.514211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.514211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.514211 (E_RNA)
where:
Base-Base interactions energy: -22.084
where: short stacking energy: -22.084
Base-Backbone interact. energy: -0.027
local terms energy: -26.403950
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -3.424
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -51.665318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.665318 (E_RNA)
where:
Base-Base interactions energy: -19.774
where: short stacking energy: -19.774
Base-Backbone interact. energy: -0.000
local terms energy: -31.891477
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -42.293544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.293544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.293544 (E_RNA)
where:
Base-Base interactions energy: -17.745
where: short stacking energy: -17.745
Base-Backbone interact. energy: -0.000
local terms energy: -24.548456
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -4.635
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -41.296022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.296022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.296022 (E_RNA)
where:
Base-Base interactions energy: -16.276
where: short stacking energy: -16.276
Base-Backbone interact. energy: -0.031
local terms energy: -24.988421
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -39.432618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.432618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.432618 (E_RNA)
where:
Base-Base interactions energy: -16.390
where: short stacking energy: -16.390
Base-Backbone interact. energy: -0.042
local terms energy: -23.000885
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -6.082
flat angles C4'-P-C4' energy: -4.180
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -32.928346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.928346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.928346 (E_RNA)
where:
Base-Base interactions energy: -7.570
where: short stacking energy: -7.570
Base-Backbone interact. energy: -0.002
local terms energy: -25.356070
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -39.681013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.681013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.681013 (E_RNA)
where:
Base-Base interactions energy: -15.767
where: short stacking energy: -15.767
Base-Backbone interact. energy: -0.000
local terms energy: -23.913514
where:
bonds (distance) C4'-P energy: -4.936
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -4.164
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: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -51.658021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.658021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.658021 (E_RNA)
where:
Base-Base interactions energy: -24.059
where: short stacking energy: -23.590
Base-Backbone interact. energy: -0.000
local terms energy: -27.598709
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -45.540608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.540608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.540608 (E_RNA)
where:
Base-Base interactions energy: -19.960
where: short stacking energy: -19.960
Base-Backbone interact. energy: -0.087
local terms energy: -25.493161
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -4.511
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -42.934317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.934317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.934317 (E_RNA)
where:
Base-Base interactions energy: -16.438
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.043
local terms energy: -26.452742
where:
bonds (distance) C4'-P energy: -5.413
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.125
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -44.079511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.079511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.079511 (E_RNA)
where:
Base-Base interactions energy: -16.556
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.016
local terms energy: -27.506851
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -43.894674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.894674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.894674 (E_RNA)
where:
Base-Base interactions energy: -16.632
where: short stacking energy: -16.632
Base-Backbone interact. energy: -0.000
local terms energy: -27.262344
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -6.159
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: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -41.827640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.827640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.827640 (E_RNA)
where:
Base-Base interactions energy: -14.520
where: short stacking energy: -14.520
Base-Backbone interact. energy: -0.005
local terms energy: -27.303131
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -5.076
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -37.676924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.676924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.676924 (E_RNA)
where:
Base-Base interactions energy: -14.937
where: short stacking energy: -13.297
Base-Backbone interact. energy: -0.091
local terms energy: -22.649371
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -36.456768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.456768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.456768 (E_RNA)
where:
Base-Base interactions energy: -13.414
where: short stacking energy: -13.414
Base-Backbone interact. energy: -0.005
local terms energy: -23.037006
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -32.960645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.960645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.960645 (E_RNA)
where:
Base-Base interactions energy: -14.374
where: short stacking energy: -12.769
Base-Backbone interact. energy: -0.262
local terms energy: -18.324598
where:
bonds (distance) C4'-P energy: -4.047
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -1.846
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -35.091706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.091706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.091706 (E_RNA)
where:
Base-Base interactions energy: -11.446
where: short stacking energy: -11.446
Base-Backbone interact. energy: -0.000
local terms energy: -23.645685
where:
bonds (distance) C4'-P energy: -2.705
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -57.921803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.921803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.921803 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.000
local terms energy: -30.159426
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -5.477
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -55.558955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.558955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.558955 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -24.468
Base-Backbone interact. energy: -0.001
local terms energy: -31.090431
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -3.623
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: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -45.192471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.192471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.192471 (E_RNA)
where:
Base-Base interactions energy: -16.141
where: short stacking energy: -16.141
Base-Backbone interact. energy: -0.002
local terms energy: -29.049573
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -5.967
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -4.199
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: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -42.488036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.488036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.488036 (E_RNA)
where:
Base-Base interactions energy: -18.696
where: short stacking energy: -18.696
Base-Backbone interact. energy: -0.082
local terms energy: -23.710122
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -4.823
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -40.372556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.372556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.372556 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -17.173
Base-Backbone interact. energy: -0.001
local terms energy: -23.198383
where:
bonds (distance) C4'-P energy: -3.836
bonds (distance) P-C4' energy: -4.973
flat angles C4'-P-C4' energy: -6.659
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -3.988
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: 322
Temperature: 1.150000
Total energy: -42.080480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.080480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.080480 (E_RNA)
where:
Base-Base interactions energy: -21.740
where: short stacking energy: -21.740
Base-Backbone interact. energy: -0.002
local terms energy: -20.338017
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -3.361
flat angles C4'-P-C4' energy: -2.595
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -51.374099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.374099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.374099 (E_RNA)
where:
Base-Base interactions energy: -23.527
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.000
local terms energy: -27.847052
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -2.984
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: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -35.834994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.834994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.834994 (E_RNA)
where:
Base-Base interactions energy: -10.993
where: short stacking energy: -9.510
Base-Backbone interact. energy: -0.020
local terms energy: -24.821939
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.763
flat angles P-C4'-P energy: -4.961
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -40.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.958020 (E_RNA)
where:
Base-Base interactions energy: -16.634
where: short stacking energy: -16.634
Base-Backbone interact. energy: -0.002
local terms energy: -24.321432
where:
bonds (distance) C4'-P energy: -4.519
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.420
flat angles P-C4'-P energy: -4.264
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: 322
Temperature: 1.350000
Total energy: -29.508533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.508533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.508533 (E_RNA)
where:
Base-Base interactions energy: -10.203
where: short stacking energy: -7.585
Base-Backbone interact. energy: -0.014
local terms energy: -19.290962
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -4.393
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -52.089859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.089859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.089859 (E_RNA)
where:
Base-Base interactions energy: -22.949
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.000
local terms energy: -29.140459
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.215
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -49.653908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.653908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.653908 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -20.914
Base-Backbone interact. energy: -0.001
local terms energy: -26.297259
where:
bonds (distance) C4'-P energy: -5.566
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -6.402
flat angles P-C4'-P energy: -1.221
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: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -49.444939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.444939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.444939 (E_RNA)
where:
Base-Base interactions energy: -20.369
where: short stacking energy: -20.369
Base-Backbone interact. energy: -0.000
local terms energy: -29.075522
where:
bonds (distance) C4'-P energy: -6.265
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -2.215
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -45.848772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.848772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.848772 (E_RNA)
where:
Base-Base interactions energy: -18.277
where: short stacking energy: -17.405
Base-Backbone interact. energy: -0.001
local terms energy: -27.571202
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -44.010525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.010525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.010525 (E_RNA)
where:
Base-Base interactions energy: -18.686
where: short stacking energy: -18.686
Base-Backbone interact. energy: -0.092
local terms energy: -25.231979
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -3.339
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -4.191
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: 323
Temperature: 1.150000
Total energy: -46.862738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.862738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.862738 (E_RNA)
where:
Base-Base interactions energy: -21.519
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.000
local terms energy: -25.344069
where:
bonds (distance) C4'-P energy: -4.275
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -2.123
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -39.039699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.039699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.039699 (E_RNA)
where:
Base-Base interactions energy: -14.928
where: short stacking energy: -14.928
Base-Backbone interact. energy: -0.000
local terms energy: -24.111279
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -4.581
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -41.125845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.125845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.125845 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -16.269
Base-Backbone interact. energy: -0.000
local terms energy: -22.322624
where:
bonds (distance) C4'-P energy: -4.145
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.178
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -36.769499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.769499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.769499 (E_RNA)
where:
Base-Base interactions energy: -11.977
where: short stacking energy: -11.977
Base-Backbone interact. energy: -0.027
local terms energy: -24.765245
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -6.079
flat angles C4'-P-C4' energy: -5.843
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -33.691051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.691051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.691051 (E_RNA)
where:
Base-Base interactions energy: -9.848
where: short stacking energy: -9.787
Base-Backbone interact. energy: -0.000
local terms energy: -23.842402
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -0.044
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: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -53.512246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.512246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.512246 (E_RNA)
where:
Base-Base interactions energy: -23.381
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.000
local terms energy: -30.131093
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -3.430
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -47.598584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.598584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.598584 (E_RNA)
where:
Base-Base interactions energy: -19.040
where: short stacking energy: -19.040
Base-Backbone interact. energy: -0.000
local terms energy: -28.558789
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -49.273540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.273540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.273540 (E_RNA)
where:
Base-Base interactions energy: -19.749
where: short stacking energy: -19.749
Base-Backbone interact. energy: -0.000
local terms energy: -29.524307
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -44.429835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.429835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.429835 (E_RNA)
where:
Base-Base interactions energy: -19.897
where: short stacking energy: -19.897
Base-Backbone interact. energy: -0.000
local terms energy: -24.532488
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -5.017
flat angles C4'-P-C4' energy: -4.108
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -43.459126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.459126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.459126 (E_RNA)
where:
Base-Base interactions energy: -15.844
where: short stacking energy: -15.844
Base-Backbone interact. energy: -0.000
local terms energy: -27.614542
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.480
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -35.234792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.234792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.234792 (E_RNA)
where:
Base-Base interactions energy: -15.228
where: short stacking energy: -13.878
Base-Backbone interact. energy: -0.334
local terms energy: -19.672346
where:
bonds (distance) C4'-P energy: -4.207
bonds (distance) P-C4' energy: -4.937
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -31.939878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.939878 (E_RNA)
where:
Base-Base interactions energy: -11.821
where: short stacking energy: -10.020
Base-Backbone interact. energy: -0.087
local terms energy: -20.032679
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -5.395
flat angles C4'-P-C4' energy: -4.651
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -33.507743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.507743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.507743 (E_RNA)
where:
Base-Base interactions energy: -13.535
where: short stacking energy: -13.535
Base-Backbone interact. energy: -0.064
local terms energy: -19.909102
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -5.740
flat angles C4'-P-C4' energy: -5.316
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -31.011626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.011626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.011626 (E_RNA)
where:
Base-Base interactions energy: -7.058
where: short stacking energy: -7.058
Base-Backbone interact. energy: -0.000
local terms energy: -23.953933
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.130
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -36.277298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.277298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.277298 (E_RNA)
where:
Base-Base interactions energy: -10.771
where: short stacking energy: -10.771
Base-Backbone interact. energy: -0.048
local terms energy: -25.458944
where:
bonds (distance) C4'-P energy: -5.661
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -54.003567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.003567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.003567 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -27.285
Base-Backbone interact. energy: -0.008
local terms energy: -26.709934
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -48.572523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.572523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.572523 (E_RNA)
where:
Base-Base interactions energy: -21.834
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.010
local terms energy: -26.728030
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -4.483
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: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -45.577473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.577473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.577473 (E_RNA)
where:
Base-Base interactions energy: -16.614
where: short stacking energy: -15.760
Base-Backbone interact. energy: -0.017
local terms energy: -28.945748
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -4.310
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: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -52.778678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.778678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.778678 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.000
local terms energy: -21.693264
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -3.124
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -1.775
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -42.009219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.009219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.009219 (E_RNA)
where:
Base-Base interactions energy: -17.400
where: short stacking energy: -13.886
Base-Backbone interact. energy: -0.002
local terms energy: -24.607673
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -41.612255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.612255 (E_RNA)
where:
Base-Base interactions energy: -12.179
where: short stacking energy: -11.053
Base-Backbone interact. energy: -0.027
local terms energy: -29.406771
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -4.970
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: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -40.846266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.846266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.846266 (E_RNA)
where:
Base-Base interactions energy: -15.464
where: short stacking energy: -15.464
Base-Backbone interact. energy: -0.003
local terms energy: -25.378571
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -4.563
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -36.200031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.200031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.200031 (E_RNA)
where:
Base-Base interactions energy: -16.256
where: short stacking energy: -16.256
Base-Backbone interact. energy: -0.001
local terms energy: -19.942880
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -2.737
flat angles C4'-P-C4' energy: -4.867
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -35.719405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.719405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.719405 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -12.050
Base-Backbone interact. energy: -0.003
local terms energy: -23.665949
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -6.502
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -35.852398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.852398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.852398 (E_RNA)
where:
Base-Base interactions energy: -13.274
where: short stacking energy: -12.622
Base-Backbone interact. energy: -0.093
local terms energy: -22.485229
where:
bonds (distance) C4'-P energy: -4.809
bonds (distance) P-C4' energy: -5.047
flat angles C4'-P-C4' energy: -5.496
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -51.170559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.170559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.170559 (E_RNA)
where:
Base-Base interactions energy: -19.361
where: short stacking energy: -19.361
Base-Backbone interact. energy: -0.000
local terms energy: -31.809012
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -4.722
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: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -53.692679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.692679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.692679 (E_RNA)
where:
Base-Base interactions energy: -27.377
where: short stacking energy: -24.092
Base-Backbone interact. energy: -0.002
local terms energy: -26.314188
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -5.029
flat angles C4'-P-C4' energy: -5.788
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -52.535062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.535062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.535062 (E_RNA)
where:
Base-Base interactions energy: -25.898
where: short stacking energy: -21.280
Base-Backbone interact. energy: -0.001
local terms energy: -26.635538
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -2.960
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -44.054579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.054579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.054579 (E_RNA)
where:
Base-Base interactions energy: -18.819
where: short stacking energy: -17.632
Base-Backbone interact. energy: 0.178
local terms energy: -25.413913
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.000
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -43.368301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.368301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.368301 (E_RNA)
where:
Base-Base interactions energy: -20.424
where: short stacking energy: -19.963
Base-Backbone interact. energy: -0.009
local terms energy: -22.935592
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -5.385
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -36.755224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.755224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.755224 (E_RNA)
where:
Base-Base interactions energy: -15.256
where: short stacking energy: -15.256
Base-Backbone interact. energy: -0.027
local terms energy: -21.472108
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -1.419
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -34.141667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.141667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.141667 (E_RNA)
where:
Base-Base interactions energy: -11.806
where: short stacking energy: -11.806
Base-Backbone interact. energy: -0.039
local terms energy: -22.296467
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -3.162
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -3.707
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: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -36.594915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.594915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.594915 (E_RNA)
where:
Base-Base interactions energy: -16.895
where: short stacking energy: -16.895
Base-Backbone interact. energy: -0.000
local terms energy: -19.699434
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -4.364
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -32.829495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.829495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.829495 (E_RNA)
where:
Base-Base interactions energy: -11.151
where: short stacking energy: -11.151
Base-Backbone interact. energy: -0.007
local terms energy: -21.671674
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -2.316
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: -3.528
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: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -33.393417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.393417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.393417 (E_RNA)
where:
Base-Base interactions energy: -14.113
where: short stacking energy: -14.113
Base-Backbone interact. energy: -0.002
local terms energy: -19.279026
where:
bonds (distance) C4'-P energy: -3.799
bonds (distance) P-C4' energy: -5.226
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: 1.695
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: -44.507342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.507342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.507342 (E_RNA)
where:
Base-Base interactions energy: -17.112
where: short stacking energy: -17.112
Base-Backbone interact. energy: -0.000
local terms energy: -27.395156
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -3.166
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: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -48.231225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.231225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.231225 (E_RNA)
where:
Base-Base interactions energy: -21.720
where: short stacking energy: -19.889
Base-Backbone interact. energy: -0.007
local terms energy: -26.503886
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -5.517
flat angles C4'-P-C4' energy: -5.774
flat angles P-C4'-P energy: -3.715
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: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -54.482316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.482316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.482316 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -22.588
Base-Backbone interact. energy: -0.017
local terms energy: -28.236332
where:
bonds (distance) C4'-P energy: -2.581
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -48.972996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.972996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.972996 (E_RNA)
where:
Base-Base interactions energy: -22.769
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.000
local terms energy: -26.203859
where:
bonds (distance) C4'-P energy: -4.199
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -42.421828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.421828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.421828 (E_RNA)
where:
Base-Base interactions energy: -14.219
where: short stacking energy: -14.219
Base-Backbone interact. energy: 0.152
local terms energy: -28.354696
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -3.573
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: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -45.251803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.251803 (E_RNA)
where:
Base-Base interactions energy: -16.987
where: short stacking energy: -16.987
Base-Backbone interact. energy: -0.002
local terms energy: -28.262138
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -6.541
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -38.933557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.933557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.933557 (E_RNA)
where:
Base-Base interactions energy: -15.083
where: short stacking energy: -14.231
Base-Backbone interact. energy: -0.003
local terms energy: -23.847928
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -31.373323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.373323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.373323 (E_RNA)
where:
Base-Base interactions energy: -6.702
where: short stacking energy: -6.702
Base-Backbone interact. energy: -0.093
local terms energy: -24.578876
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -32.128526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.128526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.128526 (E_RNA)
where:
Base-Base interactions energy: -9.888
where: short stacking energy: -8.775
Base-Backbone interact. energy: 0.407
local terms energy: -22.647217
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -5.118
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -40.251101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.251101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.251101 (E_RNA)
where:
Base-Base interactions energy: -15.190
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.000
local terms energy: -25.061343
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -3.069
flat angles C4'-P-C4' energy: -2.740
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -49.579160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.579160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.579160 (E_RNA)
where:
Base-Base interactions energy: -23.381
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.001
local terms energy: -26.196798
where:
bonds (distance) C4'-P energy: -4.604
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -42.452308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.452308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.452308 (E_RNA)
where:
Base-Base interactions energy: -19.750
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.092
local terms energy: -22.609857
where:
bonds (distance) C4'-P energy: -4.511
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -4.217
flat angles P-C4'-P energy: -2.813
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -45.668552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.668552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.668552 (E_RNA)
where:
Base-Base interactions energy: -18.124
where: short stacking energy: -18.124
Base-Backbone interact. energy: -0.000
local terms energy: -27.544617
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -45.233151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.233151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.233151 (E_RNA)
where:
Base-Base interactions energy: -21.906
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.003
local terms energy: -23.324010
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -47.442717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.442717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.442717 (E_RNA)
where:
Base-Base interactions energy: -21.980
where: short stacking energy: -17.194
Base-Backbone interact. energy: -0.010
local terms energy: -25.452658
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -2.954
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -41.992937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.992937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.992937 (E_RNA)
where:
Base-Base interactions energy: -17.697
where: short stacking energy: -17.697
Base-Backbone interact. energy: -0.000
local terms energy: -24.296384
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: 0.587
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -42.777675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.777675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.777675 (E_RNA)
where:
Base-Base interactions energy: -18.276
where: short stacking energy: -16.513
Base-Backbone interact. energy: -0.080
local terms energy: -24.422165
where:
bonds (distance) C4'-P energy: -4.792
bonds (distance) P-C4' energy: -4.827
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -3.035
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -37.627066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.627066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.627066 (E_RNA)
where:
Base-Base interactions energy: -17.691
where: short stacking energy: -16.820
Base-Backbone interact. energy: -0.528
local terms energy: -19.407950
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -3.247
flat angles P-C4'-P energy: -0.545
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -39.375760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.375760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.375760 (E_RNA)
where:
Base-Base interactions energy: -11.987
where: short stacking energy: -11.987
Base-Backbone interact. energy: -0.000
local terms energy: -27.388867
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -3.626
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: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -33.068604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.068604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.068604 (E_RNA)
where:
Base-Base interactions energy: -11.149
where: short stacking energy: -11.149
Base-Backbone interact. energy: -0.169
local terms energy: -21.750846
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -4.012
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -51.992140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.992140 (E_RNA)
where:
Base-Base interactions energy: -23.241
where: short stacking energy: -23.241
Base-Backbone interact. energy: -0.000
local terms energy: -28.751606
where:
bonds (distance) C4'-P energy: -4.465
bonds (distance) P-C4' energy: -6.559
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -51.533952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.533952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.533952 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -22.007
Base-Backbone interact. energy: -0.000
local terms energy: -29.526937
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.535
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -49.601501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.601501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.601501 (E_RNA)
where:
Base-Base interactions energy: -22.399
where: short stacking energy: -22.399
Base-Backbone interact. energy: -0.000
local terms energy: -27.202561
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -3.533
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: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -48.207682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.207682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.207682 (E_RNA)
where:
Base-Base interactions energy: -19.154
where: short stacking energy: -19.154
Base-Backbone interact. energy: -0.000
local terms energy: -29.053927
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -47.459774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.459774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.459774 (E_RNA)
where:
Base-Base interactions energy: -17.686
where: short stacking energy: -17.686
Base-Backbone interact. energy: -0.000
local terms energy: -29.773816
where:
bonds (distance) C4'-P energy: -4.224
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -40.817979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.817979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.817979 (E_RNA)
where:
Base-Base interactions energy: -15.197
where: short stacking energy: -13.618
Base-Backbone interact. energy: -0.000
local terms energy: -25.621328
where:
bonds (distance) C4'-P energy: -2.626
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.144
flat angles P-C4'-P energy: -5.594
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -38.177585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.177585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.177585 (E_RNA)
where:
Base-Base interactions energy: -16.230
where: short stacking energy: -14.370
Base-Backbone interact. energy: -0.032
local terms energy: -21.915801
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -3.699
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -37.147160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.147160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.147160 (E_RNA)
where:
Base-Base interactions energy: -16.051
where: short stacking energy: -11.549
Base-Backbone interact. energy: -0.054
local terms energy: -21.042995
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -3.696
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -1.026
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: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -38.765246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.765246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.765246 (E_RNA)
where:
Base-Base interactions energy: -15.588
where: short stacking energy: -15.588
Base-Backbone interact. energy: -0.097
local terms energy: -23.080044
where:
bonds (distance) C4'-P energy: -3.720
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -0.553
tors. eta vs tors. theta energy: -4.612
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: 329
Temperature: 1.350000
Total energy: -34.552840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.552840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.552840 (E_RNA)
where:
Base-Base interactions energy: -10.957
where: short stacking energy: -10.957
Base-Backbone interact. energy: -0.019
local terms energy: -23.576251
where:
bonds (distance) C4'-P energy: -3.911
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -1.391
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -63.376416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.376416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.376416 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.000
local terms energy: -34.376796
where:
bonds (distance) C4'-P energy: -6.345
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -50.792639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.792639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.792639 (E_RNA)
where:
Base-Base interactions energy: -23.799
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.000
local terms energy: -26.993307
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -7.498
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: 330
Temperature: 1.000000
Total energy: -48.814738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.814738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.814738 (E_RNA)
where:
Base-Base interactions energy: -20.747
where: short stacking energy: -20.747
Base-Backbone interact. energy: -0.000
local terms energy: -28.067626
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -2.837
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: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -49.750404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.750404 (E_RNA)
where:
Base-Base interactions energy: -22.049
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.000
local terms energy: -27.701073
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.563
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -37.138391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.138391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.138391 (E_RNA)
where:
Base-Base interactions energy: -12.144
where: short stacking energy: -12.144
Base-Backbone interact. energy: -1.046
local terms energy: -23.948371
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -5.073
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -40.739400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.739400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.739400 (E_RNA)
where:
Base-Base interactions energy: -15.240
where: short stacking energy: -15.240
Base-Backbone interact. energy: -0.059
local terms energy: -25.440154
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.067
flat angles P-C4'-P energy: -4.291
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: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -42.037134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.037134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.037134 (E_RNA)
where:
Base-Base interactions energy: -18.616
where: short stacking energy: -17.643
Base-Backbone interact. energy: -0.015
local terms energy: -23.405623
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -6.204
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -34.028043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.028043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.028043 (E_RNA)
where:
Base-Base interactions energy: -14.442
where: short stacking energy: -14.442
Base-Backbone interact. energy: -0.000
local terms energy: -19.586008
where:
bonds (distance) C4'-P energy: -4.250
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -2.067
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -39.355561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.355561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.355561 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -13.089
Base-Backbone interact. energy: -0.002
local terms energy: -26.264232
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -5.414
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -38.244723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.244723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.244723 (E_RNA)
where:
Base-Base interactions energy: -16.702
where: short stacking energy: -16.012
Base-Backbone interact. energy: -0.001
local terms energy: -21.541480
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -3.973
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -52.891708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.891708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.891708 (E_RNA)
where:
Base-Base interactions energy: -23.167
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.004
local terms energy: -29.720480
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -51.133503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.133503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.133503 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -23.090
Base-Backbone interact. energy: -0.046
local terms energy: -27.083963
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -40.493033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.493033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.493033 (E_RNA)
where:
Base-Base interactions energy: -15.843
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.037
local terms energy: -24.613124
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -5.140
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: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -44.112433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.112433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.112433 (E_RNA)
where:
Base-Base interactions energy: -17.647
where: short stacking energy: -17.647
Base-Backbone interact. energy: -0.000
local terms energy: -26.465230
where:
bonds (distance) C4'-P energy: -3.828
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -39.991833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.991833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.991833 (E_RNA)
where:
Base-Base interactions energy: -10.933
where: short stacking energy: -10.933
Base-Backbone interact. energy: -0.009
local terms energy: -29.049422
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -41.745077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.745077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.745077 (E_RNA)
where:
Base-Base interactions energy: -15.344
where: short stacking energy: -15.344
Base-Backbone interact. energy: -0.050
local terms energy: -26.350909
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.646
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -38.458313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.458313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.458313 (E_RNA)
where:
Base-Base interactions energy: -9.404
where: short stacking energy: -9.404
Base-Backbone interact. energy: -0.004
local terms energy: -29.050432
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -33.942783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.942783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.942783 (E_RNA)
where:
Base-Base interactions energy: -8.972
where: short stacking energy: -8.972
Base-Backbone interact. energy: -0.001
local terms energy: -24.969445
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -38.331556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.331556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.331556 (E_RNA)
where:
Base-Base interactions energy: -15.861
where: short stacking energy: -11.839
Base-Backbone interact. energy: -0.002
local terms energy: -22.469323
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -0.785
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: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -30.148258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.148258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.148258 (E_RNA)
where:
Base-Base interactions energy: -10.289
where: short stacking energy: -10.289
Base-Backbone interact. energy: -0.131
local terms energy: -19.728095
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.110
flat angles P-C4'-P energy: 0.003
tors. eta vs tors. theta energy: -3.667
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -55.420460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.420460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.420460 (E_RNA)
where:
Base-Base interactions energy: -25.424
where: short stacking energy: -25.424
Base-Backbone interact. energy: -0.054
local terms energy: -29.942991
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.600
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -59.223233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.223233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.223233 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -25.587
Base-Backbone interact. energy: -0.000
local terms energy: -33.636540
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -48.370849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.370849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.370849 (E_RNA)
where:
Base-Base interactions energy: -20.438
where: short stacking energy: -20.438
Base-Backbone interact. energy: -0.051
local terms energy: -27.881666
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -39.390920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.390920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.390920 (E_RNA)
where:
Base-Base interactions energy: -11.161
where: short stacking energy: -11.161
Base-Backbone interact. energy: -0.011
local terms energy: -28.219261
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -47.295861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.295861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.295861 (E_RNA)
where:
Base-Base interactions energy: -19.287
where: short stacking energy: -19.287
Base-Backbone interact. energy: -0.000
local terms energy: -28.008603
where:
bonds (distance) C4'-P energy: -5.442
bonds (distance) P-C4' energy: -4.112
flat angles C4'-P-C4' energy: -5.844
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -41.811466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.811466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.811466 (E_RNA)
where:
Base-Base interactions energy: -18.848
where: short stacking energy: -15.258
Base-Backbone interact. energy: -0.001
local terms energy: -22.962049
where:
bonds (distance) C4'-P energy: -2.175
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -3.709
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: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -34.163050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.163050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.163050 (E_RNA)
where:
Base-Base interactions energy: -13.994
where: short stacking energy: -13.994
Base-Backbone interact. energy: -0.018
local terms energy: -20.151712
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -5.964
flat angles C4'-P-C4' energy: -5.165
flat angles P-C4'-P energy: -1.275
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -36.662345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.662345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.662345 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.000
local terms energy: -23.994732
where:
bonds (distance) C4'-P energy: -4.432
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -37.359114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.359114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.359114 (E_RNA)
where:
Base-Base interactions energy: -14.467
where: short stacking energy: -11.096
Base-Backbone interact. energy: -0.152
local terms energy: -22.740280
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -36.976201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.976201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.976201 (E_RNA)
where:
Base-Base interactions energy: -12.606
where: short stacking energy: -12.606
Base-Backbone interact. energy: -0.000
local terms energy: -24.370363
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -52.565535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.565535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.565535 (E_RNA)
where:
Base-Base interactions energy: -22.188
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.000
local terms energy: -30.376910
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -45.956700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.956700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.956700 (E_RNA)
where:
Base-Base interactions energy: -17.326
where: short stacking energy: -17.264
Base-Backbone interact. energy: -0.062
local terms energy: -28.568410
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -4.277
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: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -42.274256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.274256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.274256 (E_RNA)
where:
Base-Base interactions energy: -19.753
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.019
local terms energy: -22.502743
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -3.277
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -41.088796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.088796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.088796 (E_RNA)
where:
Base-Base interactions energy: -15.888
where: short stacking energy: -15.888
Base-Backbone interact. energy: -0.001
local terms energy: -25.200218
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -47.709075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.709075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.709075 (E_RNA)
where:
Base-Base interactions energy: -16.531
where: short stacking energy: -16.531
Base-Backbone interact. energy: -0.000
local terms energy: -31.178295
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -4.997
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: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -44.246865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.246865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.246865 (E_RNA)
where:
Base-Base interactions energy: -16.614
where: short stacking energy: -16.614
Base-Backbone interact. energy: -0.000
local terms energy: -27.632748
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -36.346352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.346352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.346352 (E_RNA)
where:
Base-Base interactions energy: -14.989
where: short stacking energy: -9.569
Base-Backbone interact. energy: -0.248
local terms energy: -21.110075
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -2.795
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -34.630212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.630212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.630212 (E_RNA)
where:
Base-Base interactions energy: -11.952
where: short stacking energy: -11.952
Base-Backbone interact. energy: -0.000
local terms energy: -22.677889
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -1.584
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -33.080120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.080120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.080120 (E_RNA)
where:
Base-Base interactions energy: -13.536
where: short stacking energy: -13.536
Base-Backbone interact. energy: -0.014
local terms energy: -19.529822
where:
bonds (distance) C4'-P energy: -3.388
bonds (distance) P-C4' energy: -3.986
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -3.227
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: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -32.231869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.231869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.231869 (E_RNA)
where:
Base-Base interactions energy: -12.609
where: short stacking energy: -11.467
Base-Backbone interact. energy: -0.064
local terms energy: -19.558839
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.653
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -58.226731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.226731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.226731 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -27.498
Base-Backbone interact. energy: -0.000
local terms energy: -30.729202
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.871
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -47.936189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.936189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.936189 (E_RNA)
where:
Base-Base interactions energy: -18.036
where: short stacking energy: -18.036
Base-Backbone interact. energy: -0.014
local terms energy: -29.886073
where:
bonds (distance) C4'-P energy: -4.290
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -42.577604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.577604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.577604 (E_RNA)
where:
Base-Base interactions energy: -15.737
where: short stacking energy: -13.979
Base-Backbone interact. energy: -0.052
local terms energy: -26.788777
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -48.610195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.610195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.610195 (E_RNA)
where:
Base-Base interactions energy: -20.945
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.002
local terms energy: -27.663816
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -39.036336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.036336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.036336 (E_RNA)
where:
Base-Base interactions energy: -19.370
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.285
local terms energy: -19.381681
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -3.861
flat angles C4'-P-C4' energy: -0.817
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -38.200258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.200258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.200258 (E_RNA)
where:
Base-Base interactions energy: -12.621
where: short stacking energy: -12.621
Base-Backbone interact. energy: -0.083
local terms energy: -25.496109
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -0.420
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -33.559138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.559138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.559138 (E_RNA)
where:
Base-Base interactions energy: -13.487
where: short stacking energy: -13.487
Base-Backbone interact. energy: -0.001
local terms energy: -20.071989
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -4.508
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: 0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -40.026528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.026528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.026528 (E_RNA)
where:
Base-Base interactions energy: -14.390
where: short stacking energy: -14.390
Base-Backbone interact. energy: -0.061
local terms energy: -25.576038
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -43.518851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.518851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.518851 (E_RNA)
where:
Base-Base interactions energy: -17.004
where: short stacking energy: -17.004
Base-Backbone interact. energy: -0.000
local terms energy: -26.514436
where:
bonds (distance) C4'-P energy: -5.273
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.063
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: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -36.497980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.497980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.497980 (E_RNA)
where:
Base-Base interactions energy: -14.126
where: short stacking energy: -14.126
Base-Backbone interact. energy: -0.009
local terms energy: -22.362852
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -0.904
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: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -44.191305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.191305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.191305 (E_RNA)
where:
Base-Base interactions energy: -17.425
where: short stacking energy: -17.425
Base-Backbone interact. energy: -0.005
local terms energy: -26.761197
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -6.470
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -52.986825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.986825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.986825 (E_RNA)
where:
Base-Base interactions energy: -23.416
where: short stacking energy: -23.154
Base-Backbone interact. energy: -0.003
local terms energy: -29.567698
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.225
flat angles C4'-P-C4' energy: -6.624
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -37.772097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.772097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.772097 (E_RNA)
where:
Base-Base interactions energy: -14.520
where: short stacking energy: -14.520
Base-Backbone interact. energy: -0.001
local terms energy: -23.251199
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: 0.985
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -45.917332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.917332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.917332 (E_RNA)
where:
Base-Base interactions energy: -20.300
where: short stacking energy: -20.300
Base-Backbone interact. energy: -0.000
local terms energy: -25.617770
where:
bonds (distance) C4'-P energy: -5.102
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -44.930260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.930260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.930260 (E_RNA)
where:
Base-Base interactions energy: -17.820
where: short stacking energy: -17.820
Base-Backbone interact. energy: -0.000
local terms energy: -27.109563
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -4.971
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -43.410371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.410371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.410371 (E_RNA)
where:
Base-Base interactions energy: -16.767
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.023
local terms energy: -26.620493
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -3.582
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: 335
Temperature: 1.200000
Total energy: -38.555115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.555115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.555115 (E_RNA)
where:
Base-Base interactions energy: -14.134
where: short stacking energy: -14.134
Base-Backbone interact. energy: -0.003
local terms energy: -24.418134
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -39.869919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.869919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.869919 (E_RNA)
where:
Base-Base interactions energy: -18.137
where: short stacking energy: -18.137
Base-Backbone interact. energy: -0.039
local terms energy: -21.693722
where:
bonds (distance) C4'-P energy: -4.324
bonds (distance) P-C4' energy: -5.035
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -2.875
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: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -39.878089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.878089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.878089 (E_RNA)
where:
Base-Base interactions energy: -17.605
where: short stacking energy: -15.901
Base-Backbone interact. energy: -0.018
local terms energy: -22.255375
where:
bonds (distance) C4'-P energy: -4.837
bonds (distance) P-C4' energy: -4.597
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -1.922
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -31.884671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.884671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.884671 (E_RNA)
where:
Base-Base interactions energy: -8.246
where: short stacking energy: -8.246
Base-Backbone interact. energy: -0.103
local terms energy: -23.535754
where:
bonds (distance) C4'-P energy: -4.100
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -4.091
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: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -50.980770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.980770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.980770 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -21.405
Base-Backbone interact. energy: -0.002
local terms energy: -29.573855
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -3.899
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: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -46.751284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.751284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.751284 (E_RNA)
where:
Base-Base interactions energy: -19.378
where: short stacking energy: -19.378
Base-Backbone interact. energy: -0.000
local terms energy: -27.373327
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.789
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -48.656525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.656525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.656525 (E_RNA)
where:
Base-Base interactions energy: -21.963
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.000
local terms energy: -26.693979
where:
bonds (distance) C4'-P energy: -3.911
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -43.019537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.019537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.019537 (E_RNA)
where:
Base-Base interactions energy: -13.647
where: short stacking energy: -13.647
Base-Backbone interact. energy: -0.011
local terms energy: -29.362171
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -43.521426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.521426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.521426 (E_RNA)
where:
Base-Base interactions energy: -21.218
where: short stacking energy: -21.218
Base-Backbone interact. energy: -0.000
local terms energy: -22.303565
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -4.836
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -37.464428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.464428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.464428 (E_RNA)
where:
Base-Base interactions energy: -16.999
where: short stacking energy: -16.999
Base-Backbone interact. energy: -0.028
local terms energy: -20.437966
where:
bonds (distance) C4'-P energy: -3.704
bonds (distance) P-C4' energy: -2.925
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -5.253
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: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -33.721909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.721909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.721909 (E_RNA)
where:
Base-Base interactions energy: -12.578
where: short stacking energy: -12.165
Base-Backbone interact. energy: 1.112
local terms energy: -22.256268
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -43.383256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.383256 (E_RNA)
where:
Base-Base interactions energy: -19.099
where: short stacking energy: -19.099
Base-Backbone interact. energy: -0.001
local terms energy: -24.283757
where:
bonds (distance) C4'-P energy: -3.898
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: -4.910
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -33.800103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.800103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.800103 (E_RNA)
where:
Base-Base interactions energy: -11.742
where: short stacking energy: -11.742
Base-Backbone interact. energy: -0.075
local terms energy: -21.982257
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -1.301
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -31.988709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.988709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.988709 (E_RNA)
where:
Base-Base interactions energy: -10.648
where: short stacking energy: -10.648
Base-Backbone interact. energy: -0.001
local terms energy: -21.340309
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -3.351
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -50.425645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.425645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.425645 (E_RNA)
where:
Base-Base interactions energy: -18.533
where: short stacking energy: -18.533
Base-Backbone interact. energy: -0.020
local terms energy: -31.872562
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.994
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -4.723
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -56.534937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.534937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.534937 (E_RNA)
where:
Base-Base interactions energy: -24.355
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.000
local terms energy: -32.179531
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -38.057984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.057984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.057984 (E_RNA)
where:
Base-Base interactions energy: -11.683
where: short stacking energy: -11.683
Base-Backbone interact. energy: -0.166
local terms energy: -26.209675
where:
bonds (distance) C4'-P energy: -3.890
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -39.157365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.157365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.157365 (E_RNA)
where:
Base-Base interactions energy: -12.609
where: short stacking energy: -12.609
Base-Backbone interact. energy: -0.001
local terms energy: -26.547214
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -38.920791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.920791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.920791 (E_RNA)
where:
Base-Base interactions energy: -17.583
where: short stacking energy: -16.388
Base-Backbone interact. energy: 0.277
local terms energy: -21.615106
where:
bonds (distance) C4'-P energy: -4.892
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -3.625
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: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -40.699794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.699794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.699794 (E_RNA)
where:
Base-Base interactions energy: -18.012
where: short stacking energy: -18.012
Base-Backbone interact. energy: -0.001
local terms energy: -22.686067
where:
bonds (distance) C4'-P energy: -4.498
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -37.149350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.149350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.149350 (E_RNA)
where:
Base-Base interactions energy: -12.503
where: short stacking energy: -11.924
Base-Backbone interact. energy: -1.108
local terms energy: -23.538888
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -1.071
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: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -38.360545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.360545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.360545 (E_RNA)
where:
Base-Base interactions energy: -14.334
where: short stacking energy: -12.634
Base-Backbone interact. energy: -0.000
local terms energy: -24.026615
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -6.318
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -40.445400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.445400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.445400 (E_RNA)
where:
Base-Base interactions energy: -18.308
where: short stacking energy: -11.066
Base-Backbone interact. energy: -0.027
local terms energy: -22.110447
where:
bonds (distance) C4'-P energy: -5.061
bonds (distance) P-C4' energy: -6.458
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -36.297446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.297446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.297446 (E_RNA)
where:
Base-Base interactions energy: -12.233
where: short stacking energy: -12.233
Base-Backbone interact. energy: -0.002
local terms energy: -24.063174
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -4.243
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -2.339
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: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -46.957445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.957445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.957445 (E_RNA)
where:
Base-Base interactions energy: -19.437
where: short stacking energy: -19.437
Base-Backbone interact. energy: -0.000
local terms energy: -27.520874
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -5.599
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -51.803228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.803228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.803228 (E_RNA)
where:
Base-Base interactions energy: -22.155
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.000
local terms energy: -29.647496
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -4.410
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: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -41.992224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.992224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.992224 (E_RNA)
where:
Base-Base interactions energy: -17.867
where: short stacking energy: -15.656
Base-Backbone interact. energy: -0.046
local terms energy: -24.079268
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -3.594
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -42.447565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.447565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.447565 (E_RNA)
where:
Base-Base interactions energy: -16.476
where: short stacking energy: -15.755
Base-Backbone interact. energy: -0.011
local terms energy: -25.960395
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.090
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -36.587127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.587127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.587127 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.002
local terms energy: -19.015060
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -5.744
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -0.763
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -45.478912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.478912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.478912 (E_RNA)
where:
Base-Base interactions energy: -25.027
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.000
local terms energy: -20.450988
where:
bonds (distance) C4'-P energy: -0.309
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.082
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -40.114061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.114061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.114061 (E_RNA)
where:
Base-Base interactions energy: -13.289
where: short stacking energy: -13.289
Base-Backbone interact. energy: -0.001
local terms energy: -26.824351
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.672
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -2.401
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: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -29.914089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.914089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.914089 (E_RNA)
where:
Base-Base interactions energy: -11.841
where: short stacking energy: -11.841
Base-Backbone interact. energy: -0.003
local terms energy: -18.070204
where:
bonds (distance) C4'-P energy: -0.383
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.416
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -1.566
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: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -40.731131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.731131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.731131 (E_RNA)
where:
Base-Base interactions energy: -13.177
where: short stacking energy: -13.177
Base-Backbone interact. energy: -0.000
local terms energy: -27.553560
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -5.208
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -30.882615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.882615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.882615 (E_RNA)
where:
Base-Base interactions energy: -11.634
where: short stacking energy: -11.051
Base-Backbone interact. energy: -0.098
local terms energy: -19.150388
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.952
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -58.416696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.416696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.416696 (E_RNA)
where:
Base-Base interactions energy: -28.787
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.000
local terms energy: -29.629435
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -3.520
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -49.660544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.660544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.660544 (E_RNA)
where:
Base-Base interactions energy: -20.956
where: short stacking energy: -20.956
Base-Backbone interact. energy: -0.000
local terms energy: -28.704799
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -47.204205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.204205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.204205 (E_RNA)
where:
Base-Base interactions energy: -19.871
where: short stacking energy: -19.871
Base-Backbone interact. energy: -0.004
local terms energy: -27.329371
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -4.544
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -48.677636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.677636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.677636 (E_RNA)
where:
Base-Base interactions energy: -22.341
where: short stacking energy: -22.341
Base-Backbone interact. energy: -0.000
local terms energy: -26.336965
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -46.394598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.394598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.394598 (E_RNA)
where:
Base-Base interactions energy: -18.745
where: short stacking energy: -18.745
Base-Backbone interact. energy: -0.057
local terms energy: -27.593048
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.708
flat angles P-C4'-P energy: -3.927
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -39.032240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.032240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.032240 (E_RNA)
where:
Base-Base interactions energy: -12.266
where: short stacking energy: -12.266
Base-Backbone interact. energy: -0.100
local terms energy: -26.666483
where:
bonds (distance) C4'-P energy: -5.040
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -31.122697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.122697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.122697 (E_RNA)
where:
Base-Base interactions energy: -16.011
where: short stacking energy: -13.072
Base-Backbone interact. energy: 0.014
local terms energy: -15.126175
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -2.406
flat angles C4'-P-C4' energy: -4.356
flat angles P-C4'-P energy: -1.742
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -38.678644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.678644 (E_RNA)
where:
Base-Base interactions energy: -15.392
where: short stacking energy: -15.392
Base-Backbone interact. energy: -0.000
local terms energy: -23.286622
where:
bonds (distance) C4'-P energy: -3.464
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -3.998
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -34.082967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.082967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.082967 (E_RNA)
where:
Base-Base interactions energy: -8.467
where: short stacking energy: -8.220
Base-Backbone interact. energy: -0.072
local terms energy: -25.544085
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -41.525647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.525647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.525647 (E_RNA)
where:
Base-Base interactions energy: -18.950
where: short stacking energy: -18.242
Base-Backbone interact. energy: -0.000
local terms energy: -22.575987
where:
bonds (distance) C4'-P energy: -4.353
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -55.001096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.001096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.001096 (E_RNA)
where:
Base-Base interactions energy: -21.367
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.000
local terms energy: -33.634007
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -58.053193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.053193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.053193 (E_RNA)
where:
Base-Base interactions energy: -25.722
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.000
local terms energy: -32.330823
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -8.451
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: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -38.796137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.796137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.796137 (E_RNA)
where:
Base-Base interactions energy: -14.043
where: short stacking energy: -12.885
Base-Backbone interact. energy: -0.096
local terms energy: -24.656590
where:
bonds (distance) C4'-P energy: -5.177
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -46.027576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.027576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.027576 (E_RNA)
where:
Base-Base interactions energy: -21.358
where: short stacking energy: -21.358
Base-Backbone interact. energy: -0.000
local terms energy: -24.669884
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.390
flat angles P-C4'-P energy: 0.975
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -54.926327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.926327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.926327 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -23.338
Base-Backbone interact. energy: -0.000
local terms energy: -31.588596
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -7.137
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: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -37.805092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.805092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.805092 (E_RNA)
where:
Base-Base interactions energy: -14.699
where: short stacking energy: -14.699
Base-Backbone interact. energy: -0.000
local terms energy: -23.105790
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -5.716
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -36.948277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.948277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.948277 (E_RNA)
where:
Base-Base interactions energy: -13.836
where: short stacking energy: -13.836
Base-Backbone interact. energy: -0.086
local terms energy: -23.025640
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -3.565
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -2.800
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -39.036958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.036958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.036958 (E_RNA)
where:
Base-Base interactions energy: -17.981
where: short stacking energy: -12.036
Base-Backbone interact. energy: -0.205
local terms energy: -20.851677
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -5.789
flat angles P-C4'-P energy: 0.030
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -39.772079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.772079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.772079 (E_RNA)
where:
Base-Base interactions energy: -11.734
where: short stacking energy: -10.857
Base-Backbone interact. energy: -0.000
local terms energy: -28.037907
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.843
flat angles P-C4'-P energy: -2.846
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -38.831855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.831855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.831855 (E_RNA)
where:
Base-Base interactions energy: -14.900
where: short stacking energy: -11.277
Base-Backbone interact. energy: -0.013
local terms energy: -23.919393
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -51.850752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.850752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.850752 (E_RNA)
where:
Base-Base interactions energy: -19.333
where: short stacking energy: -19.333
Base-Backbone interact. energy: -0.000
local terms energy: -32.517406
where:
bonds (distance) C4'-P energy: -5.718
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -7.322
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -45.740230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.740230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.740230 (E_RNA)
where:
Base-Base interactions energy: -19.854
where: short stacking energy: -19.854
Base-Backbone interact. energy: 0.396
local terms energy: -26.281474
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -52.517999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.517999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.517999 (E_RNA)
where:
Base-Base interactions energy: -21.626
where: short stacking energy: -21.626
Base-Backbone interact. energy: -0.000
local terms energy: -30.892131
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -36.179351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.179351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.179351 (E_RNA)
where:
Base-Base interactions energy: -11.606
where: short stacking energy: -11.075
Base-Backbone interact. energy: -0.226
local terms energy: -24.346922
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -38.074012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.074012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.074012 (E_RNA)
where:
Base-Base interactions energy: -14.880
where: short stacking energy: -14.880
Base-Backbone interact. energy: -0.049
local terms energy: -23.144819
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -46.083463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.083463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.083463 (E_RNA)
where:
Base-Base interactions energy: -20.892
where: short stacking energy: -19.432
Base-Backbone interact. energy: -0.015
local terms energy: -25.176529
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -1.375
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -36.671752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.671752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.671752 (E_RNA)
where:
Base-Base interactions energy: -15.924
where: short stacking energy: -13.371
Base-Backbone interact. energy: -0.004
local terms energy: -20.743871
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -5.397
flat angles C4'-P-C4' energy: -4.605
flat angles P-C4'-P energy: -4.170
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: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -37.846669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.846669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.846669 (E_RNA)
where:
Base-Base interactions energy: -13.100
where: short stacking energy: -13.100
Base-Backbone interact. energy: -0.000
local terms energy: -24.746123
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -42.830627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.830627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.830627 (E_RNA)
where:
Base-Base interactions energy: -17.125
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.000
local terms energy: -25.705802
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -3.944
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -37.570359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.570359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.570359 (E_RNA)
where:
Base-Base interactions energy: -14.968
where: short stacking energy: -14.968
Base-Backbone interact. energy: -0.000
local terms energy: -22.601574
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -5.976
flat angles C4'-P-C4' energy: -4.206
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -50.784212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.784212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.784212 (E_RNA)
where:
Base-Base interactions energy: -22.410
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.000
local terms energy: -28.373731
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -42.620959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620959 (E_RNA)
where:
Base-Base interactions energy: -13.800
where: short stacking energy: -13.800
Base-Backbone interact. energy: -0.343
local terms energy: -28.477880
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -4.402
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: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -46.462300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.462300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.462300 (E_RNA)
where:
Base-Base interactions energy: -19.966
where: short stacking energy: -19.966
Base-Backbone interact. energy: -0.001
local terms energy: -26.494747
where:
bonds (distance) C4'-P energy: -3.177
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -53.825714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.825714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.825714 (E_RNA)
where:
Base-Base interactions energy: -21.163
where: short stacking energy: -21.163
Base-Backbone interact. energy: -0.000
local terms energy: -32.662773
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -53.975751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.975751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.975751 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.000
local terms energy: -27.178339
where:
bonds (distance) C4'-P energy: -4.486
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -4.653
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -47.888870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.888870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.888870 (E_RNA)
where:
Base-Base interactions energy: -19.179
where: short stacking energy: -19.179
Base-Backbone interact. energy: -0.053
local terms energy: -28.656680
where:
bonds (distance) C4'-P energy: -4.147
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -38.714459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.714459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.714459 (E_RNA)
where:
Base-Base interactions energy: -14.864
where: short stacking energy: -13.570
Base-Backbone interact. energy: -0.000
local terms energy: -23.850023
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -5.265
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -44.351949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.351949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.351949 (E_RNA)
where:
Base-Base interactions energy: -18.731
where: short stacking energy: -18.731
Base-Backbone interact. energy: -0.008
local terms energy: -25.613491
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -4.385
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -36.897856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.897856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.897856 (E_RNA)
where:
Base-Base interactions energy: -11.900
where: short stacking energy: -11.900
Base-Backbone interact. energy: -0.000
local terms energy: -24.997938
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.264
flat angles P-C4'-P energy: -2.339
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: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -38.049679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.049679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.049679 (E_RNA)
where:
Base-Base interactions energy: -17.026
where: short stacking energy: -17.026
Base-Backbone interact. energy: 1.417
local terms energy: -22.440610
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -5.220
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -61.129859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.129859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.129859 (E_RNA)
where:
Base-Base interactions energy: -29.812
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.000
local terms energy: -31.318294
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -50.860211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.860211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.860211 (E_RNA)
where:
Base-Base interactions energy: -18.720
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.000
local terms energy: -32.140178
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -48.685107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.685107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.685107 (E_RNA)
where:
Base-Base interactions energy: -19.039
where: short stacking energy: -19.039
Base-Backbone interact. energy: -0.000
local terms energy: -29.646041
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -47.674053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.674053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.674053 (E_RNA)
where:
Base-Base interactions energy: -23.247
where: short stacking energy: -22.124
Base-Backbone interact. energy: -0.000
local terms energy: -24.427490
where:
bonds (distance) C4'-P energy: -4.655
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -43.415459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.415459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.415459 (E_RNA)
where:
Base-Base interactions energy: -19.287
where: short stacking energy: -19.287
Base-Backbone interact. energy: -0.004
local terms energy: -24.123989
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -39.447585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.447585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.447585 (E_RNA)
where:
Base-Base interactions energy: -16.793
where: short stacking energy: -16.575
Base-Backbone interact. energy: -0.030
local terms energy: -22.623890
where:
bonds (distance) C4'-P energy: -5.309
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -2.753
flat angles P-C4'-P energy: -4.064
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: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -42.799695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.799695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.799695 (E_RNA)
where:
Base-Base interactions energy: -17.152
where: short stacking energy: -17.152
Base-Backbone interact. energy: -0.000
local terms energy: -25.647043
where:
bonds (distance) C4'-P energy: -4.598
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -2.267
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -42.799875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.799875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.799875 (E_RNA)
where:
Base-Base interactions energy: -15.573
where: short stacking energy: -15.573
Base-Backbone interact. energy: -0.029
local terms energy: -27.198427
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -37.052918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.052918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.052918 (E_RNA)
where:
Base-Base interactions energy: -12.292
where: short stacking energy: -12.292
Base-Backbone interact. energy: -0.084
local terms energy: -24.677295
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -34.923691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.923691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.923691 (E_RNA)
where:
Base-Base interactions energy: -8.082
where: short stacking energy: -8.082
Base-Backbone interact. energy: -0.000
local terms energy: -26.841830
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -54.706585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.706585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.706585 (E_RNA)
where:
Base-Base interactions energy: -22.197
where: short stacking energy: -22.197
Base-Backbone interact. energy: -0.000
local terms energy: -32.509490
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -47.859163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.859163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.859163 (E_RNA)
where:
Base-Base interactions energy: -20.625
where: short stacking energy: -20.625
Base-Backbone interact. energy: -0.014
local terms energy: -27.220484
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -5.100
flat angles C4'-P-C4' energy: -6.986
flat angles P-C4'-P energy: -4.488
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: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -43.296899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.296899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.296899 (E_RNA)
where:
Base-Base interactions energy: -17.333
where: short stacking energy: -17.333
Base-Backbone interact. energy: -0.001
local terms energy: -25.963442
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -42.608927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.608927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.608927 (E_RNA)
where:
Base-Base interactions energy: -17.556
where: short stacking energy: -13.022
Base-Backbone interact. energy: -0.015
local terms energy: -25.038262
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -1.544
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: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -38.429905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.429905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.429905 (E_RNA)
where:
Base-Base interactions energy: -15.116
where: short stacking energy: -11.597
Base-Backbone interact. energy: -0.106
local terms energy: -23.208085
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -3.502
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: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -45.800326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.800326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.800326 (E_RNA)
where:
Base-Base interactions energy: -21.402
where: short stacking energy: -21.402
Base-Backbone interact. energy: 0.246
local terms energy: -24.644224
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -4.660
flat angles C4'-P-C4' energy: -4.545
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -42.990812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.990812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.990812 (E_RNA)
where:
Base-Base interactions energy: -17.945
where: short stacking energy: -17.945
Base-Backbone interact. energy: -0.000
local terms energy: -25.046130
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -5.171
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -39.065405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.065405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.065405 (E_RNA)
where:
Base-Base interactions energy: -13.826
where: short stacking energy: -13.826
Base-Backbone interact. energy: -0.043
local terms energy: -25.197067
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -39.623965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.623965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.623965 (E_RNA)
where:
Base-Base interactions energy: -12.744
where: short stacking energy: -12.744
Base-Backbone interact. energy: -0.009
local terms energy: -26.870953
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -5.538
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -32.398426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.398426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.398426 (E_RNA)
where:
Base-Base interactions energy: -7.809
where: short stacking energy: -7.809
Base-Backbone interact. energy: -0.020
local terms energy: -24.569756
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -54.839195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.839195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.839195 (E_RNA)
where:
Base-Base interactions energy: -23.486
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.003
local terms energy: -31.349698
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -5.406
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: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -45.501936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.501936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.501936 (E_RNA)
where:
Base-Base interactions energy: -21.263
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.000
local terms energy: -24.239312
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -5.784
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -50.215695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.215695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.215695 (E_RNA)
where:
Base-Base interactions energy: -24.036
where: short stacking energy: -23.388
Base-Backbone interact. energy: -0.000
local terms energy: -26.179433
where:
bonds (distance) C4'-P energy: -3.997
bonds (distance) P-C4' energy: -5.321
flat angles C4'-P-C4' energy: -6.876
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -40.955108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.955108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.955108 (E_RNA)
where:
Base-Base interactions energy: -15.228
where: short stacking energy: -14.960
Base-Backbone interact. energy: -0.000
local terms energy: -25.726805
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -39.525699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.525699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.525699 (E_RNA)
where:
Base-Base interactions energy: -12.139
where: short stacking energy: -12.139
Base-Backbone interact. energy: 0.130
local terms energy: -27.516543
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -4.030
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: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -37.571961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.571961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.571961 (E_RNA)
where:
Base-Base interactions energy: -10.220
where: short stacking energy: -10.220
Base-Backbone interact. energy: 0.034
local terms energy: -27.385234
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -3.682
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -40.973916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.973916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.973916 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -16.778
Base-Backbone interact. energy: -0.005
local terms energy: -24.191039
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.879
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -3.346
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: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -34.515603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.515603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.515603 (E_RNA)
where:
Base-Base interactions energy: -10.904
where: short stacking energy: -10.904
Base-Backbone interact. energy: -0.056
local terms energy: -23.555205
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.357
flat angles C4'-P-C4' energy: -5.540
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -41.751548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.751548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.751548 (E_RNA)
where:
Base-Base interactions energy: -12.656
where: short stacking energy: -12.656
Base-Backbone interact. energy: -0.096
local terms energy: -28.999430
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -6.081
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -44.845414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.845414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.845414 (E_RNA)
where:
Base-Base interactions energy: -18.688
where: short stacking energy: -18.688
Base-Backbone interact. energy: -0.000
local terms energy: -26.157406
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -2.324
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -51.752260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.752260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.752260 (E_RNA)
where:
Base-Base interactions energy: -23.823
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.017
local terms energy: -27.912785
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -51.363104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.363104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.363104 (E_RNA)
where:
Base-Base interactions energy: -20.758
where: short stacking energy: -20.758
Base-Backbone interact. energy: -0.010
local terms energy: -30.595134
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.106
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -47.659675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.659675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.659675 (E_RNA)
where:
Base-Base interactions energy: -23.417
where: short stacking energy: -17.502
Base-Backbone interact. energy: -0.002
local terms energy: -24.240647
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -5.261
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -47.160296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.160296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.160296 (E_RNA)
where:
Base-Base interactions energy: -17.719
where: short stacking energy: -17.719
Base-Backbone interact. energy: -0.099
local terms energy: -29.342098
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -41.208611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.208611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.208611 (E_RNA)
where:
Base-Base interactions energy: -14.930
where: short stacking energy: -14.930
Base-Backbone interact. energy: 0.467
local terms energy: -26.744882
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -42.260843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.260843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.260843 (E_RNA)
where:
Base-Base interactions energy: -14.991
where: short stacking energy: -13.290
Base-Backbone interact. energy: -0.001
local terms energy: -27.268434
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -33.877900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.877900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.877900 (E_RNA)
where:
Base-Base interactions energy: -11.315
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.168
local terms energy: -22.395517
where:
bonds (distance) C4'-P energy: -3.604
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -45.857053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.857053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.857053 (E_RNA)
where:
Base-Base interactions energy: -19.650
where: short stacking energy: -19.650
Base-Backbone interact. energy: -0.000
local terms energy: -26.207098
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.470
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -1.110
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -33.753062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.753062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.753062 (E_RNA)
where:
Base-Base interactions energy: -13.460
where: short stacking energy: -13.460
Base-Backbone interact. energy: -0.076
local terms energy: -20.217019
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -1.343
tors. eta vs tors. theta energy: -2.542
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: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -32.826922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.826922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.826922 (E_RNA)
where:
Base-Base interactions energy: -6.707
where: short stacking energy: -6.707
Base-Backbone interact. energy: -0.001
local terms energy: -26.119222
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -2.522
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -45.124222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.124222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.124222 (E_RNA)
where:
Base-Base interactions energy: -24.844
where: short stacking energy: -16.338
Base-Backbone interact. energy: -1.438
local terms energy: -18.841759
where:
bonds (distance) C4'-P energy: -5.480
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -4.947
flat angles P-C4'-P energy: -0.474
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -46.774328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.774328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.774328 (E_RNA)
where:
Base-Base interactions energy: -18.300
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.084
local terms energy: -28.389587
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -5.727
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -50.940724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.940724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.940724 (E_RNA)
where:
Base-Base interactions energy: -21.880
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.000
local terms energy: -29.060185
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -6.054
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -46.906177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.906177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.906177 (E_RNA)
where:
Base-Base interactions energy: -20.520
where: short stacking energy: -20.520
Base-Backbone interact. energy: -0.001
local terms energy: -26.384748
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -44.318998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.318998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.318998 (E_RNA)
where:
Base-Base interactions energy: -18.624
where: short stacking energy: -18.624
Base-Backbone interact. energy: -0.002
local terms energy: -25.692961
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -5.419
flat angles P-C4'-P energy: -2.413
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -42.335169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.335169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.335169 (E_RNA)
where:
Base-Base interactions energy: -17.037
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.000
local terms energy: -25.298153
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.092
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -40.056164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.056164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.056164 (E_RNA)
where:
Base-Base interactions energy: -15.890
where: short stacking energy: -15.744
Base-Backbone interact. energy: -0.000
local terms energy: -24.166374
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.005
flat angles C4'-P-C4' energy: -4.461
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -42.973445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.973445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.973445 (E_RNA)
where:
Base-Base interactions energy: -17.099
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.009
local terms energy: -25.865580
where:
bonds (distance) C4'-P energy: -3.729
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -40.047148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.047148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.047148 (E_RNA)
where:
Base-Base interactions energy: -12.805
where: short stacking energy: -12.805
Base-Backbone interact. energy: -0.000
local terms energy: -27.242273
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -3.718
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -30.556765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.556765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.556765 (E_RNA)
where:
Base-Base interactions energy: -4.648
where: short stacking energy: -4.648
Base-Backbone interact. energy: -0.478
local terms energy: -25.430475
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.470
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -58.101477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.101477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.101477 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.000
local terms energy: -28.779981
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -46.034160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.034160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.034160 (E_RNA)
where:
Base-Base interactions energy: -18.214
where: short stacking energy: -15.796
Base-Backbone interact. energy: -0.000
local terms energy: -27.819867
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -2.534
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: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -44.292188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.292188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.292188 (E_RNA)
where:
Base-Base interactions energy: -16.567
where: short stacking energy: -16.567
Base-Backbone interact. energy: -0.000
local terms energy: -27.724903
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.121
flat angles P-C4'-P energy: -3.147
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -42.277066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.277066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.277066 (E_RNA)
where:
Base-Base interactions energy: -15.959
where: short stacking energy: -15.959
Base-Backbone interact. energy: -0.001
local terms energy: -26.316412
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -38.498376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.498376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.498376 (E_RNA)
where:
Base-Base interactions energy: -14.805
where: short stacking energy: -14.266
Base-Backbone interact. energy: -0.001
local terms energy: -23.692979
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -5.582
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -44.113729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.113729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.113729 (E_RNA)
where:
Base-Base interactions energy: -16.493
where: short stacking energy: -16.493
Base-Backbone interact. energy: -0.033
local terms energy: -27.587194
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -41.920758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.920758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.920758 (E_RNA)
where:
Base-Base interactions energy: -14.111
where: short stacking energy: -14.111
Base-Backbone interact. energy: -0.048
local terms energy: -27.761016
where:
bonds (distance) C4'-P energy: -5.115
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -36.010442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.010442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.010442 (E_RNA)
where:
Base-Base interactions energy: -18.740
where: short stacking energy: -18.740
Base-Backbone interact. energy: -0.000
local terms energy: -17.270053
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -2.815
flat angles C4'-P-C4' energy: -2.471
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -38.869659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.869659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.869659 (E_RNA)
where:
Base-Base interactions energy: -14.081
where: short stacking energy: -14.081
Base-Backbone interact. energy: -0.001
local terms energy: -24.788461
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -32.945441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.945441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.945441 (E_RNA)
where:
Base-Base interactions energy: -8.413
where: short stacking energy: -8.413
Base-Backbone interact. energy: -0.000
local terms energy: -24.532658
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -55.029087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.029087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.029087 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.003
local terms energy: -31.671570
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -51.612257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.612257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.612257 (E_RNA)
where:
Base-Base interactions energy: -21.362
where: short stacking energy: -20.416
Base-Backbone interact. energy: -0.016
local terms energy: -30.234710
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -41.789539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.789539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.789539 (E_RNA)
where:
Base-Base interactions energy: -16.111
where: short stacking energy: -15.053
Base-Backbone interact. energy: -0.623
local terms energy: -25.055938
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.274
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -44.683947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.683947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.683947 (E_RNA)
where:
Base-Base interactions energy: -18.716
where: short stacking energy: -18.716
Base-Backbone interact. energy: -0.035
local terms energy: -25.932797
where:
bonds (distance) C4'-P energy: -3.185
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -6.977
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: 349
Temperature: 1.100000
Total energy: -40.480799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.480799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.480799 (E_RNA)
where:
Base-Base interactions energy: -17.852
where: short stacking energy: -15.281
Base-Backbone interact. energy: 0.534
local terms energy: -23.163236
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -3.299
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -40.877478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.877478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.877478 (E_RNA)
where:
Base-Base interactions energy: -16.825
where: short stacking energy: -16.825
Base-Backbone interact. energy: -0.082
local terms energy: -23.970608
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -6.744
flat angles P-C4'-P energy: -1.892
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -41.549878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.549878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.549878 (E_RNA)
where:
Base-Base interactions energy: -13.165
where: short stacking energy: -13.165
Base-Backbone interact. energy: -0.000
local terms energy: -28.384601
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -38.060010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.060010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.060010 (E_RNA)
where:
Base-Base interactions energy: -14.626
where: short stacking energy: -14.471
Base-Backbone interact. energy: -0.003
local terms energy: -23.430916
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.946
flat angles P-C4'-P energy: -1.138
tors. eta vs tors. theta energy: -2.249
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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -36.147206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.147206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.147206 (E_RNA)
where:
Base-Base interactions energy: -11.335
where: short stacking energy: -10.328
Base-Backbone interact. energy: -0.006
local terms energy: -24.805972
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -32.896144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.896144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.896144 (E_RNA)
where:
Base-Base interactions energy: -10.701
where: short stacking energy: -10.701
Base-Backbone interact. energy: 0.077
local terms energy: -22.272714
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -54.604612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.604612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.604612 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.000
local terms energy: -29.220586
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -2.365
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: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -45.307954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.307954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.307954 (E_RNA)
where:
Base-Base interactions energy: -15.559
where: short stacking energy: -15.559
Base-Backbone interact. energy: -0.094
local terms energy: -29.654912
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -42.670767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.670767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.670767 (E_RNA)
where:
Base-Base interactions energy: -14.398
where: short stacking energy: -12.752
Base-Backbone interact. energy: -0.072
local terms energy: -28.201290
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -45.532727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.532727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.532727 (E_RNA)
where:
Base-Base interactions energy: -19.580
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.044
local terms energy: -25.908964
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -37.705710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.705710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.705710 (E_RNA)
where:
Base-Base interactions energy: -17.729
where: short stacking energy: -17.729
Base-Backbone interact. energy: -0.000
local terms energy: -19.976135
where:
bonds (distance) C4'-P energy: -6.072
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -2.041
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -40.290543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.290543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.290543 (E_RNA)
where:
Base-Base interactions energy: -16.842
where: short stacking energy: -15.693
Base-Backbone interact. energy: -0.018
local terms energy: -23.430097
where:
bonds (distance) C4'-P energy: -4.974
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -3.151
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: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -34.128994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.128994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.128994 (E_RNA)
where:
Base-Base interactions energy: -10.206
where: short stacking energy: -10.206
Base-Backbone interact. energy: -0.018
local terms energy: -23.905103
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -5.061
flat angles C4'-P-C4' energy: -5.845
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -40.702025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.702025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.702025 (E_RNA)
where:
Base-Base interactions energy: -14.805
where: short stacking energy: -13.437
Base-Backbone interact. energy: -0.020
local terms energy: -25.877155
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -41.271496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.271496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.271496 (E_RNA)
where:
Base-Base interactions energy: -17.329
where: short stacking energy: -14.217
Base-Backbone interact. energy: -0.007
local terms energy: -23.935564
where:
bonds (distance) C4'-P energy: -4.093
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -7.218
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -31.688582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.688582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.688582 (E_RNA)
where:
Base-Base interactions energy: -12.784
where: short stacking energy: -9.579
Base-Backbone interact. energy: -0.279
local terms energy: -18.626459
where:
bonds (distance) C4'-P energy: -2.850
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.300
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -55.602729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.602729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.602729 (E_RNA)
where:
Base-Base interactions energy: -23.519
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.000
local terms energy: -32.083579
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -42.769429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.769429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.769429 (E_RNA)
where:
Base-Base interactions energy: -16.479
where: short stacking energy: -14.793
Base-Backbone interact. energy: -0.009
local terms energy: -26.281084
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -4.833
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -1.687
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: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -49.424773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.424773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.424773 (E_RNA)
where:
Base-Base interactions energy: -23.347
where: short stacking energy: -20.778
Base-Backbone interact. energy: -0.000
local terms energy: -26.077362
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -41.626640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.626640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.626640 (E_RNA)
where:
Base-Base interactions energy: -14.734
where: short stacking energy: -14.734
Base-Backbone interact. energy: 0.467
local terms energy: -27.359086
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -53.533004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.533004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.533004 (E_RNA)
where:
Base-Base interactions energy: -23.188
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.003
local terms energy: -30.341980
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -5.091
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -43.147747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.147747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.147747 (E_RNA)
where:
Base-Base interactions energy: -17.623
where: short stacking energy: -17.623
Base-Backbone interact. energy: -0.007
local terms energy: -25.518138
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -35.664681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.664681 (E_RNA)
where:
Base-Base interactions energy: -10.780
where: short stacking energy: -10.780
Base-Backbone interact. energy: -0.000
local terms energy: -24.884725
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -7.638
flat angles P-C4'-P energy: -3.946
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: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -35.581328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.581328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.581328 (E_RNA)
where:
Base-Base interactions energy: -12.465
where: short stacking energy: -11.046
Base-Backbone interact. energy: -0.000
local terms energy: -23.116332
where:
bonds (distance) C4'-P energy: -4.207
bonds (distance) P-C4' energy: -6.003
flat angles C4'-P-C4' energy: -6.858
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -3.524
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: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -34.901511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.901511 (E_RNA)
where:
Base-Base interactions energy: -9.676
where: short stacking energy: -9.676
Base-Backbone interact. energy: -0.005
local terms energy: -25.221098
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.518
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -30.486830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.486830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.486830 (E_RNA)
where:
Base-Base interactions energy: -8.219
where: short stacking energy: -7.980
Base-Backbone interact. energy: -0.115
local terms energy: -22.152560
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -6.470
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -56.303776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.303776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.303776 (E_RNA)
where:
Base-Base interactions energy: -26.543
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.332
local terms energy: -29.428206
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -52.690435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.690435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.690435 (E_RNA)
where:
Base-Base interactions energy: -22.030
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.000
local terms energy: -30.660417
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -42.808439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.808439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.808439 (E_RNA)
where:
Base-Base interactions energy: -17.754
where: short stacking energy: -17.754
Base-Backbone interact. energy: -0.003
local terms energy: -25.050979
where:
bonds (distance) C4'-P energy: -3.836
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -53.028196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.028196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.028196 (E_RNA)
where:
Base-Base interactions energy: -22.450
where: short stacking energy: -22.450
Base-Backbone interact. energy: -0.000
local terms energy: -30.578508
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -1.494
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -41.501732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.501732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.501732 (E_RNA)
where:
Base-Base interactions energy: -15.931
where: short stacking energy: -15.931
Base-Backbone interact. energy: -0.002
local terms energy: -25.568684
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -4.825
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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -43.661118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.661118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.661118 (E_RNA)
where:
Base-Base interactions energy: -15.578
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.000
local terms energy: -28.082634
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -39.383779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.383779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.383779 (E_RNA)
where:
Base-Base interactions energy: -13.574
where: short stacking energy: -13.574
Base-Backbone interact. energy: -0.021
local terms energy: -25.789115
where:
bonds (distance) C4'-P energy: -4.838
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -43.939043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.939043 (E_RNA)
where:
Base-Base interactions energy: -18.270
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.000
local terms energy: -25.669358
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -32.570236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.570236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.570236 (E_RNA)
where:
Base-Base interactions energy: -9.144
where: short stacking energy: -9.144
Base-Backbone interact. energy: -0.098
local terms energy: -23.327501
where:
bonds (distance) C4'-P energy: -6.394
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -29.645787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.645787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.645787 (E_RNA)
where:
Base-Base interactions energy: -7.522
where: short stacking energy: -7.522
Base-Backbone interact. energy: -0.146
local terms energy: -21.977396
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -3.600
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: 0.068
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: 353
Temperature: 0.900000
Total energy: -50.231999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.231999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.231999 (E_RNA)
where:
Base-Base interactions energy: -21.143
where: short stacking energy: -21.143
Base-Backbone interact. energy: -0.000
local terms energy: -29.089083
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -5.684
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: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -41.776755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.776755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.776755 (E_RNA)
where:
Base-Base interactions energy: -16.106
where: short stacking energy: -10.670
Base-Backbone interact. energy: -0.344
local terms energy: -25.327016
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -42.894287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.894287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.894287 (E_RNA)
where:
Base-Base interactions energy: -19.011
where: short stacking energy: -19.011
Base-Backbone interact. energy: -0.098
local terms energy: -23.785209
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -50.314041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.314041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.314041 (E_RNA)
where:
Base-Base interactions energy: -22.867
where: short stacking energy: -22.867
Base-Backbone interact. energy: -0.000
local terms energy: -27.446707
where:
bonds (distance) C4'-P energy: -4.159
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -5.052
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -45.957264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.957264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.957264 (E_RNA)
where:
Base-Base interactions energy: -21.509
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.099
local terms energy: -24.349256
where:
bonds (distance) C4'-P energy: -5.658
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: 0.084
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -37.422228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.422228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.422228 (E_RNA)
where:
Base-Base interactions energy: -13.235
where: short stacking energy: -12.864
Base-Backbone interact. energy: -0.000
local terms energy: -24.186843
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -1.879
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -41.048938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.048938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.048938 (E_RNA)
where:
Base-Base interactions energy: -13.763
where: short stacking energy: -7.106
Base-Backbone interact. energy: -0.001
local terms energy: -27.285103
where:
bonds (distance) C4'-P energy: -5.165
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -34.496613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.496613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.496613 (E_RNA)
where:
Base-Base interactions energy: -7.717
where: short stacking energy: -6.697
Base-Backbone interact. energy: -0.004
local terms energy: -26.776103
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -32.925295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.925295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.925295 (E_RNA)
where:
Base-Base interactions energy: -15.653
where: short stacking energy: -15.653
Base-Backbone interact. energy: 1.185
local terms energy: -18.457215
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -3.362
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -35.227045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.227045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.227045 (E_RNA)
where:
Base-Base interactions energy: -15.181
where: short stacking energy: -15.181
Base-Backbone interact. energy: -0.098
local terms energy: -19.948309
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -0.589
tors. eta vs tors. theta energy: -1.382
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: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -51.014586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.014586 (E_RNA)
where:
Base-Base interactions energy: -26.205
where: short stacking energy: -22.368
Base-Backbone interact. energy: -0.001
local terms energy: -24.809176
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -2.863
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -47.213241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.213241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.213241 (E_RNA)
where:
Base-Base interactions energy: -19.084
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.002
local terms energy: -28.127119
where:
bonds (distance) C4'-P energy: -4.159
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -51.308042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.308042 (E_RNA)
where:
Base-Base interactions energy: -20.842
where: short stacking energy: -19.602
Base-Backbone interact. energy: -0.000
local terms energy: -30.466512
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -40.992942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.992942 (E_RNA)
where:
Base-Base interactions energy: -15.594
where: short stacking energy: -15.594
Base-Backbone interact. energy: 0.144
local terms energy: -25.542878
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -41.645201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.645201 (E_RNA)
where:
Base-Base interactions energy: -15.729
where: short stacking energy: -14.105
Base-Backbone interact. energy: -0.000
local terms energy: -25.915273
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -5.702
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -40.228740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.228740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.228740 (E_RNA)
where:
Base-Base interactions energy: -13.773
where: short stacking energy: -12.309
Base-Backbone interact. energy: -0.250
local terms energy: -26.205243
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -3.526
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: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -35.206903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.206903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.206903 (E_RNA)
where:
Base-Base interactions energy: -11.784
where: short stacking energy: -10.159
Base-Backbone interact. energy: -0.000
local terms energy: -23.422897
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -2.447
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: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -33.614767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.614767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.614767 (E_RNA)
where:
Base-Base interactions energy: -8.739
where: short stacking energy: -8.280
Base-Backbone interact. energy: 0.117
local terms energy: -24.992971
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -6.290
flat angles C4'-P-C4' energy: -5.281
flat angles P-C4'-P energy: -3.942
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: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -35.544952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.544952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.544952 (E_RNA)
where:
Base-Base interactions energy: -11.434
where: short stacking energy: -11.434
Base-Backbone interact. energy: -0.005
local terms energy: -24.106441
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -36.539075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.539075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.539075 (E_RNA)
where:
Base-Base interactions energy: -11.792
where: short stacking energy: -11.792
Base-Backbone interact. energy: -0.093
local terms energy: -24.654373
where:
bonds (distance) C4'-P energy: -5.040
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -4.896
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -41.972900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.972900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.972900 (E_RNA)
where:
Base-Base interactions energy: -16.388
where: short stacking energy: -15.488
Base-Backbone interact. energy: -0.031
local terms energy: -25.554352
where:
bonds (distance) C4'-P energy: -3.612
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -7.201
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -2.639
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -47.114276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.114276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.114276 (E_RNA)
where:
Base-Base interactions energy: -16.581
where: short stacking energy: -16.581
Base-Backbone interact. energy: -0.043
local terms energy: -30.490072
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -46.117843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.117843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.117843 (E_RNA)
where:
Base-Base interactions energy: -18.092
where: short stacking energy: -18.092
Base-Backbone interact. energy: -0.000
local terms energy: -28.025819
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -4.398
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: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -47.257738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.257738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.257738 (E_RNA)
where:
Base-Base interactions energy: -18.677
where: short stacking energy: -18.677
Base-Backbone interact. energy: -0.000
local terms energy: -28.580489
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -6.628
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -4.907
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: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -39.688027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.688027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.688027 (E_RNA)
where:
Base-Base interactions energy: -14.898
where: short stacking energy: -13.019
Base-Backbone interact. energy: -0.029
local terms energy: -24.760848
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -4.508
flat angles C4'-P-C4' energy: -6.308
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -40.734102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.734102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.734102 (E_RNA)
where:
Base-Base interactions energy: -15.755
where: short stacking energy: -15.755
Base-Backbone interact. energy: -0.003
local terms energy: -24.975968
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -6.138
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -44.822278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.822278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.822278 (E_RNA)
where:
Base-Base interactions energy: -16.593
where: short stacking energy: -16.593
Base-Backbone interact. energy: -0.006
local terms energy: -28.223625
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -4.611
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -42.667639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.667639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.667639 (E_RNA)
where:
Base-Base interactions energy: -17.331
where: short stacking energy: -15.956
Base-Backbone interact. energy: -0.038
local terms energy: -25.298941
where:
bonds (distance) C4'-P energy: -4.478
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -36.860340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.860340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.860340 (E_RNA)
where:
Base-Base interactions energy: -16.739
where: short stacking energy: -16.739
Base-Backbone interact. energy: -0.003
local terms energy: -20.118533
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -2.608
flat angles C4'-P-C4' energy: -2.256
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -31.368202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.368202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.368202 (E_RNA)
where:
Base-Base interactions energy: -10.801
where: short stacking energy: -8.097
Base-Backbone interact. energy: -0.110
local terms energy: -20.457146
where:
bonds (distance) C4'-P energy: -5.086
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -3.700
flat angles P-C4'-P energy: -3.467
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: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -51.662388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.662388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.662388 (E_RNA)
where:
Base-Base interactions energy: -18.765
where: short stacking energy: -18.765
Base-Backbone interact. energy: -0.000
local terms energy: -32.897367
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -5.459
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: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -51.601952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.601952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.601952 (E_RNA)
where:
Base-Base interactions energy: -24.027
where: short stacking energy: -19.479
Base-Backbone interact. energy: -0.041
local terms energy: -27.534140
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.431
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -3.411
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: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -47.582956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.582956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.582956 (E_RNA)
where:
Base-Base interactions energy: -16.356
where: short stacking energy: -16.356
Base-Backbone interact. energy: -0.000
local terms energy: -31.227438
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -50.233876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.233876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.233876 (E_RNA)
where:
Base-Base interactions energy: -21.380
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.000
local terms energy: -28.853909
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -39.750444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.750444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.750444 (E_RNA)
where:
Base-Base interactions energy: -17.442
where: short stacking energy: -17.442
Base-Backbone interact. energy: -0.001
local terms energy: -22.306795
where:
bonds (distance) C4'-P energy: -4.250
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -44.234116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.234116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.234116 (E_RNA)
where:
Base-Base interactions energy: -15.106
where: short stacking energy: -15.106
Base-Backbone interact. energy: -0.001
local terms energy: -29.127813
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -38.858318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.858318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.858318 (E_RNA)
where:
Base-Base interactions energy: -14.743
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.007
local terms energy: -24.108268
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -2.777
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: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -40.884665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.884665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.884665 (E_RNA)
where:
Base-Base interactions energy: -15.658
where: short stacking energy: -15.658
Base-Backbone interact. energy: 0.150
local terms energy: -25.376615
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -2.895
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -5.463
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: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -39.977977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.977977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.977977 (E_RNA)
where:
Base-Base interactions energy: -13.028
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.027
local terms energy: -26.923476
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -4.827
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: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -32.499577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.499577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.499577 (E_RNA)
where:
Base-Base interactions energy: -9.663
where: short stacking energy: -9.663
Base-Backbone interact. energy: -0.066
local terms energy: -22.770832
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -55.840306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.840306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.840306 (E_RNA)
where:
Base-Base interactions energy: -23.237
where: short stacking energy: -23.237
Base-Backbone interact. energy: -0.021
local terms energy: -32.581856
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -48.659140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.659140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.659140 (E_RNA)
where:
Base-Base interactions energy: -18.387
where: short stacking energy: -17.686
Base-Backbone interact. energy: -0.671
local terms energy: -29.601184
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -3.652
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: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -43.606300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.606300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.606300 (E_RNA)
where:
Base-Base interactions energy: -17.363
where: short stacking energy: -17.363
Base-Backbone interact. energy: -0.066
local terms energy: -26.177624
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -5.518
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -41.945323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.945323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.945323 (E_RNA)
where:
Base-Base interactions energy: -17.752
where: short stacking energy: -17.415
Base-Backbone interact. energy: -0.013
local terms energy: -24.180430
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -48.571964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.571964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.571964 (E_RNA)
where:
Base-Base interactions energy: -19.604
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.000
local terms energy: -28.968166
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: -5.358
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -36.640994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.640994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.640994 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.000
local terms energy: -22.589476
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -3.217
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -38.686361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.686361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.686361 (E_RNA)
where:
Base-Base interactions energy: -16.273
where: short stacking energy: -16.273
Base-Backbone interact. energy: -0.001
local terms energy: -22.412162
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -4.770
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -37.583553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.583553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.583553 (E_RNA)
where:
Base-Base interactions energy: -14.638
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.001
local terms energy: -22.944869
where:
bonds (distance) C4'-P energy: -5.413
bonds (distance) P-C4' energy: -5.688
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -36.901550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.901550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.901550 (E_RNA)
where:
Base-Base interactions energy: -12.254
where: short stacking energy: -12.254
Base-Backbone interact. energy: -0.000
local terms energy: -24.647841
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -4.276
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -3.109
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: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -36.361014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.361014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.361014 (E_RNA)
where:
Base-Base interactions energy: -16.905
where: short stacking energy: -16.905
Base-Backbone interact. energy: -0.099
local terms energy: -19.357036
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -49.198503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.198503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.198503 (E_RNA)
where:
Base-Base interactions energy: -19.578
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.000
local terms energy: -29.620931
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -50.459110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.459110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.459110 (E_RNA)
where:
Base-Base interactions energy: -21.354
where: short stacking energy: -14.508
Base-Backbone interact. energy: -2.293
local terms energy: -26.811435
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -3.370
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -45.884874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.884874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.884874 (E_RNA)
where:
Base-Base interactions energy: -20.141
where: short stacking energy: -20.141
Base-Backbone interact. energy: -0.001
local terms energy: -25.743354
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -3.262
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: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -44.289893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.289893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.289893 (E_RNA)
where:
Base-Base interactions energy: -17.712
where: short stacking energy: -17.712
Base-Backbone interact. energy: -0.082
local terms energy: -26.495780
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -43.968304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.968304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.968304 (E_RNA)
where:
Base-Base interactions energy: -16.878
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.002
local terms energy: -27.088335
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -4.846
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -39.640127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.640127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.640127 (E_RNA)
where:
Base-Base interactions energy: -12.542
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.038
local terms energy: -27.059705
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -37.509011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.509011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.509011 (E_RNA)
where:
Base-Base interactions energy: -13.427
where: short stacking energy: -12.549
Base-Backbone interact. energy: -0.103
local terms energy: -23.978972
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -2.253
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -37.307334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.307334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.307334 (E_RNA)
where:
Base-Base interactions energy: -13.622
where: short stacking energy: -13.622
Base-Backbone interact. energy: 0.211
local terms energy: -23.896215
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -3.395
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -31.859155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.859155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.859155 (E_RNA)
where:
Base-Base interactions energy: -13.403
where: short stacking energy: -11.326
Base-Backbone interact. energy: -0.001
local terms energy: -18.455618
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.506
flat angles P-C4'-P energy: -1.052
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -31.383807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.383807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.383807 (E_RNA)
where:
Base-Base interactions energy: -8.210
where: short stacking energy: -7.657
Base-Backbone interact. energy: -0.022
local terms energy: -23.151736
where:
bonds (distance) C4'-P energy: -5.302
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -3.777
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -47.938466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.938466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.938466 (E_RNA)
where:
Base-Base interactions energy: -21.561
where: short stacking energy: -18.365
Base-Backbone interact. energy: 0.103
local terms energy: -26.479626
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -5.801
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -3.720
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: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -46.799641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.799641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.799641 (E_RNA)
where:
Base-Base interactions energy: -21.491
where: short stacking energy: -21.491
Base-Backbone interact. energy: -0.000
local terms energy: -25.308181
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -54.241352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.241352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.241352 (E_RNA)
where:
Base-Base interactions energy: -23.555
where: short stacking energy: -23.555
Base-Backbone interact. energy: -0.000
local terms energy: -30.686458
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -7.779
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: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -53.966816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.966816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.966816 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.001
local terms energy: -26.931382
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -4.425
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -7.502
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -53.533140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.533140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.533140 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.022
local terms energy: -29.375330
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.381
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -39.181423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.181423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.181423 (E_RNA)
where:
Base-Base interactions energy: -13.131
where: short stacking energy: -12.786
Base-Backbone interact. energy: -0.160
local terms energy: -25.891175
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.475
flat angles P-C4'-P energy: -3.729
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: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -34.232813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.232813 (E_RNA)
where:
Base-Base interactions energy: -14.760
where: short stacking energy: -14.760
Base-Backbone interact. energy: -0.059
local terms energy: -19.413852
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -2.200
flat angles C4'-P-C4' energy: -3.998
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -41.257197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.257197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.257197 (E_RNA)
where:
Base-Base interactions energy: -13.799
where: short stacking energy: -13.799
Base-Backbone interact. energy: -0.000
local terms energy: -27.457621
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -2.339
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: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -40.311974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.311974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.311974 (E_RNA)
where:
Base-Base interactions energy: -18.596
where: short stacking energy: -18.596
Base-Backbone interact. energy: -0.000
local terms energy: -21.715645
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -4.464
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -30.561843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.561843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.561843 (E_RNA)
where:
Base-Base interactions energy: -5.874
where: short stacking energy: -5.874
Base-Backbone interact. energy: -0.090
local terms energy: -24.597985
where:
bonds (distance) C4'-P energy: -4.589
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -5.460
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: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -53.808679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.808679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.808679 (E_RNA)
where:
Base-Base interactions energy: -21.583
where: short stacking energy: -21.583
Base-Backbone interact. energy: -0.000
local terms energy: -32.225331
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.270
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -48.045170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.045170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.045170 (E_RNA)
where:
Base-Base interactions energy: -20.955
where: short stacking energy: -20.955
Base-Backbone interact. energy: -0.000
local terms energy: -27.090586
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -2.122
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: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -47.741550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.741550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.741550 (E_RNA)
where:
Base-Base interactions energy: -20.864
where: short stacking energy: -20.864
Base-Backbone interact. energy: -0.000
local terms energy: -26.877255
where:
bonds (distance) C4'-P energy: -5.894
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.147
flat angles P-C4'-P energy: -5.314
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -39.685047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.685047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.685047 (E_RNA)
where:
Base-Base interactions energy: -12.654
where: short stacking energy: -12.654
Base-Backbone interact. energy: -0.000
local terms energy: -27.031260
where:
bonds (distance) C4'-P energy: -4.946
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -46.273287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.273287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.273287 (E_RNA)
where:
Base-Base interactions energy: -20.601
where: short stacking energy: -20.601
Base-Backbone interact. energy: -0.013
local terms energy: -25.659239
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -5.168
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -3.343
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -40.050626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.050626 (E_RNA)
where:
Base-Base interactions energy: -16.649
where: short stacking energy: -14.808
Base-Backbone interact. energy: -0.000
local terms energy: -23.401564
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -3.607
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -41.769167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.769167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.769167 (E_RNA)
where:
Base-Base interactions energy: -17.181
where: short stacking energy: -17.181
Base-Backbone interact. energy: -0.000
local terms energy: -24.587770
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.003
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -0.338
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -32.022838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.022838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.022838 (E_RNA)
where:
Base-Base interactions energy: -17.183
where: short stacking energy: -17.183
Base-Backbone interact. energy: -0.224
local terms energy: -14.615557
where:
bonds (distance) C4'-P energy: -0.975
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: 1.673
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: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -43.375105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.375105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.375105 (E_RNA)
where:
Base-Base interactions energy: -16.738
where: short stacking energy: -16.738
Base-Backbone interact. energy: -0.061
local terms energy: -26.575626
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -33.203693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.203693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.203693 (E_RNA)
where:
Base-Base interactions energy: -11.538
where: short stacking energy: -11.538
Base-Backbone interact. energy: -0.001
local terms energy: -21.664855
where:
bonds (distance) C4'-P energy: -3.020
bonds (distance) P-C4' energy: -4.449
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -3.477
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: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -57.618314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.618314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.618314 (E_RNA)
where:
Base-Base interactions energy: -23.006
where: short stacking energy: -23.006
Base-Backbone interact. energy: -0.000
local terms energy: -34.612504
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.670
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -48.597342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.597342 (E_RNA)
where:
Base-Base interactions energy: -19.780
where: short stacking energy: -19.780
Base-Backbone interact. energy: -0.000
local terms energy: -28.817306
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -4.450
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -52.543814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.543814 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.000
local terms energy: -28.033918
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -5.862
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -7.546
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: 361
Temperature: 1.050000
Total energy: -49.390260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.390260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.390260 (E_RNA)
where:
Base-Base interactions energy: -20.000
where: short stacking energy: -20.000
Base-Backbone interact. energy: -0.000
local terms energy: -29.390314
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -5.473
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -2.363
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: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -45.355482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.355482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.355482 (E_RNA)
where:
Base-Base interactions energy: -17.554
where: short stacking energy: -17.554
Base-Backbone interact. energy: -0.000
local terms energy: -27.801250
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -5.775
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: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -46.254913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.254913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.254913 (E_RNA)
where:
Base-Base interactions energy: -17.714
where: short stacking energy: -17.714
Base-Backbone interact. energy: -0.000
local terms energy: -28.540648
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -48.994257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.994257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.994257 (E_RNA)
where:
Base-Base interactions energy: -18.049
where: short stacking energy: -18.049
Base-Backbone interact. energy: -0.001
local terms energy: -30.944561
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -5.633
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -5.648
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: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -34.109755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.109755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.109755 (E_RNA)
where:
Base-Base interactions energy: -10.808
where: short stacking energy: -10.808
Base-Backbone interact. energy: -0.001
local terms energy: -23.300920
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -4.385
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -32.880653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.880653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.880653 (E_RNA)
where:
Base-Base interactions energy: -11.120
where: short stacking energy: -11.520
Base-Backbone interact. energy: -0.194
local terms energy: -21.566297
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -4.106
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -33.367166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.367166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.367166 (E_RNA)
where:
Base-Base interactions energy: -10.680
where: short stacking energy: -10.680
Base-Backbone interact. energy: -0.002
local terms energy: -22.684461
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.396
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -54.207271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.207271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.207271 (E_RNA)
where:
Base-Base interactions energy: -21.868
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.000
local terms energy: -32.339320
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -6.326
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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -38.618216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.618216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.618216 (E_RNA)
where:
Base-Base interactions energy: -13.431
where: short stacking energy: -13.431
Base-Backbone interact. energy: -0.603
local terms energy: -24.584749
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -42.375954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.375954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.375954 (E_RNA)
where:
Base-Base interactions energy: -15.140
where: short stacking energy: -15.140
Base-Backbone interact. energy: -0.099
local terms energy: -27.136920
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.483
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -47.119427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.119427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.119427 (E_RNA)
where:
Base-Base interactions energy: -19.961
where: short stacking energy: -19.961
Base-Backbone interact. energy: -0.003
local terms energy: -27.155259
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.039
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -42.262459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.262459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.262459 (E_RNA)
where:
Base-Base interactions energy: -16.438
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.595
local terms energy: -25.229642
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.976
flat angles C4'-P-C4' energy: -5.651
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -44.454368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.454368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.454368 (E_RNA)
where:
Base-Base interactions energy: -19.305
where: short stacking energy: -19.305
Base-Backbone interact. energy: -0.013
local terms energy: -25.135494
where:
bonds (distance) C4'-P energy: -4.929
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -44.434230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.434230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.434230 (E_RNA)
where:
Base-Base interactions energy: -16.889
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.023
local terms energy: -27.521501
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -33.437824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.437824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.437824 (E_RNA)
where:
Base-Base interactions energy: -10.398
where: short stacking energy: -10.398
Base-Backbone interact. energy: -0.006
local terms energy: -23.033530
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -2.138
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -38.987444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.987444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.987444 (E_RNA)
where:
Base-Base interactions energy: -13.775
where: short stacking energy: -13.775
Base-Backbone interact. energy: -0.000
local terms energy: -25.212299
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -3.717
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -4.449
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: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -34.522311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.522311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.522311 (E_RNA)
where:
Base-Base interactions energy: -13.166
where: short stacking energy: -11.871
Base-Backbone interact. energy: -0.070
local terms energy: -21.286625
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -59.945794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.945794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.945794 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.000
local terms energy: -33.293515
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -46.521190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.521190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.521190 (E_RNA)
where:
Base-Base interactions energy: -20.001
where: short stacking energy: -20.001
Base-Backbone interact. energy: -0.035
local terms energy: -26.485264
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -5.465
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -52.733236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.733236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.733236 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.001
local terms energy: -29.528013
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -44.740918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.740918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.740918 (E_RNA)
where:
Base-Base interactions energy: -17.514
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.016
local terms energy: -27.210994
where:
bonds (distance) C4'-P energy: -5.023
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -37.805845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.805845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.805845 (E_RNA)
where:
Base-Base interactions energy: -16.575
where: short stacking energy: -16.575
Base-Backbone interact. energy: -0.019
local terms energy: -21.211260
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: 1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -44.685447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.685447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.685447 (E_RNA)
where:
Base-Base interactions energy: -17.195
where: short stacking energy: -13.918
Base-Backbone interact. energy: -0.010
local terms energy: -27.479877
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -40.087462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.087462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.087462 (E_RNA)
where:
Base-Base interactions energy: -14.533
where: short stacking energy: -13.316
Base-Backbone interact. energy: -0.325
local terms energy: -25.229002
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -5.072
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: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -39.049223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.049223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.049223 (E_RNA)
where:
Base-Base interactions energy: -16.098
where: short stacking energy: -16.098
Base-Backbone interact. energy: -0.068
local terms energy: -22.883636
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -5.351
flat angles C4'-P-C4' energy: -5.064
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -34.054007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.054007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.054007 (E_RNA)
where:
Base-Base interactions energy: -11.903
where: short stacking energy: -9.439
Base-Backbone interact. energy: -0.125
local terms energy: -22.025574
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -2.054
tors. eta vs tors. theta energy: -0.543
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -37.764000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.764000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.764000 (E_RNA)
where:
Base-Base interactions energy: -15.060
where: short stacking energy: -14.905
Base-Backbone interact. energy: -0.011
local terms energy: -22.692860
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -1.338
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -49.799509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.799509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.799509 (E_RNA)
where:
Base-Base interactions energy: -21.370
where: short stacking energy: -21.370
Base-Backbone interact. energy: -0.000
local terms energy: -28.429002
where:
bonds (distance) C4'-P energy: -4.341
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -57.575014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.575014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.575014 (E_RNA)
where:
Base-Base interactions energy: -26.939
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.000
local terms energy: -30.636028
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.093
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -47.306010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.306010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.306010 (E_RNA)
where:
Base-Base interactions energy: -21.316
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.276
local terms energy: -25.713741
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -3.070
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -41.281971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.281971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.281971 (E_RNA)
where:
Base-Base interactions energy: -14.927
where: short stacking energy: -14.927
Base-Backbone interact. energy: -0.001
local terms energy: -26.354157
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -39.823823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.823823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.823823 (E_RNA)
where:
Base-Base interactions energy: -17.543
where: short stacking energy: -17.543
Base-Backbone interact. energy: -0.131
local terms energy: -22.149661
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -3.237
flat angles C4'-P-C4' energy: -6.772
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -44.347169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.347169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.347169 (E_RNA)
where:
Base-Base interactions energy: -17.254
where: short stacking energy: -17.254
Base-Backbone interact. energy: -0.099
local terms energy: -26.993910
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -5.048
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -4.336
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: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -38.765892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.765892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.765892 (E_RNA)
where:
Base-Base interactions energy: -14.595
where: short stacking energy: -12.747
Base-Backbone interact. energy: -0.005
local terms energy: -24.166038
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.147
flat angles P-C4'-P energy: -5.379
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -42.212971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.212971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.212971 (E_RNA)
where:
Base-Base interactions energy: -17.304
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.023
local terms energy: -24.886330
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -4.823
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: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -36.538999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.538999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.538999 (E_RNA)
where:
Base-Base interactions energy: -7.506
where: short stacking energy: -7.506
Base-Backbone interact. energy: -0.000
local terms energy: -29.033481
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -39.591057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.591057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.591057 (E_RNA)
where:
Base-Base interactions energy: -15.487
where: short stacking energy: -15.065
Base-Backbone interact. energy: -0.000
local terms energy: -24.103608
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -5.774
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -45.335148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.335148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.335148 (E_RNA)
where:
Base-Base interactions energy: -16.153
where: short stacking energy: -16.153
Base-Backbone interact. energy: -0.099
local terms energy: -29.083686
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.333
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -52.717215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.717215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.717215 (E_RNA)
where:
Base-Base interactions energy: -22.449
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.001
local terms energy: -30.267438
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.839
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -6.002
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: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -53.495131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.495131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.495131 (E_RNA)
where:
Base-Base interactions energy: -22.279
where: short stacking energy: -22.279
Base-Backbone interact. energy: -0.000
local terms energy: -31.216373
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -46.635105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.635105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.635105 (E_RNA)
where:
Base-Base interactions energy: -18.857
where: short stacking energy: -17.456
Base-Backbone interact. energy: -0.000
local terms energy: -27.778016
where:
bonds (distance) C4'-P energy: -3.559
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -3.569
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -38.842082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.842082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.842082 (E_RNA)
where:
Base-Base interactions energy: -14.316
where: short stacking energy: -13.948
Base-Backbone interact. energy: -0.631
local terms energy: -23.894553
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.554
flat angles C4'-P-C4' energy: -4.477
flat angles P-C4'-P energy: -3.569
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: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -38.072618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.072618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.072618 (E_RNA)
where:
Base-Base interactions energy: -15.900
where: short stacking energy: -15.900
Base-Backbone interact. energy: -0.195
local terms energy: -21.978384
where:
bonds (distance) C4'-P energy: -4.402
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -0.145
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: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -32.256403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.256403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.256403 (E_RNA)
where:
Base-Base interactions energy: -10.405
where: short stacking energy: -10.405
Base-Backbone interact. energy: -0.022
local terms energy: -21.829033
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -0.476
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -37.523133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.523133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.523133 (E_RNA)
where:
Base-Base interactions energy: -12.320
where: short stacking energy: -12.320
Base-Backbone interact. energy: -0.088
local terms energy: -25.115501
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -36.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.143900 (E_RNA)
where:
Base-Base interactions energy: -17.745
where: short stacking energy: -17.745
Base-Backbone interact. energy: -0.001
local terms energy: -18.398045
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -1.257
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -34.070204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.070204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.070204 (E_RNA)
where:
Base-Base interactions energy: -11.384
where: short stacking energy: -10.239
Base-Backbone interact. energy: -0.004
local terms energy: -22.682396
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -2.266
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -52.934316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.934316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.934316 (E_RNA)
where:
Base-Base interactions energy: -24.996
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.028
local terms energy: -27.910103
where:
bonds (distance) C4'-P energy: -4.474
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -48.574467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.574467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.574467 (E_RNA)
where:
Base-Base interactions energy: -23.114
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.002
local terms energy: -25.458746
where:
bonds (distance) C4'-P energy: -3.720
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -5.550
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: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -44.095727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.095727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.095727 (E_RNA)
where:
Base-Base interactions energy: -19.676
where: short stacking energy: -19.676
Base-Backbone interact. energy: 1.642
local terms energy: -26.061640
where:
bonds (distance) C4'-P energy: -4.073
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -48.864126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.864126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.864126 (E_RNA)
where:
Base-Base interactions energy: -23.968
where: short stacking energy: -23.246
Base-Backbone interact. energy: -0.004
local terms energy: -24.891266
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -41.222729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.222729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.222729 (E_RNA)
where:
Base-Base interactions energy: -18.325
where: short stacking energy: -16.105
Base-Backbone interact. energy: -0.099
local terms energy: -22.798653
where:
bonds (distance) C4'-P energy: -4.920
bonds (distance) P-C4' energy: -5.240
flat angles C4'-P-C4' energy: -5.342
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -52.806111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.806111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.806111 (E_RNA)
where:
Base-Base interactions energy: -28.944
where: short stacking energy: -21.060
Base-Backbone interact. energy: -0.000
local terms energy: -23.861852
where:
bonds (distance) C4'-P energy: -4.581
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -4.811
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -3.906
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -38.525316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.525316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.525316 (E_RNA)
where:
Base-Base interactions energy: -15.883
where: short stacking energy: -15.883
Base-Backbone interact. energy: -0.000
local terms energy: -22.641698
where:
bonds (distance) C4'-P energy: -4.785
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -42.105801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.105801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.105801 (E_RNA)
where:
Base-Base interactions energy: -17.229
where: short stacking energy: -14.384
Base-Backbone interact. energy: -0.742
local terms energy: -24.134925
where:
bonds (distance) C4'-P energy: -4.163
bonds (distance) P-C4' energy: -6.152
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -34.533248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.533248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.533248 (E_RNA)
where:
Base-Base interactions energy: -11.000
where: short stacking energy: -10.695
Base-Backbone interact. energy: -0.000
local terms energy: -23.532916
where:
bonds (distance) C4'-P energy: -4.618
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -5.303
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -35.188113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.188113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.188113 (E_RNA)
where:
Base-Base interactions energy: -11.723
where: short stacking energy: -10.972
Base-Backbone interact. energy: -0.121
local terms energy: -23.343527
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -4.529
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -48.536667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.536667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.536667 (E_RNA)
where:
Base-Base interactions energy: -21.482
where: short stacking energy: -21.482
Base-Backbone interact. energy: -0.034
local terms energy: -27.020326
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -53.121452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.121452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.121452 (E_RNA)
where:
Base-Base interactions energy: -23.348
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.000
local terms energy: -29.773699
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.385
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -6.807
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: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -48.949890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.949890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.949890 (E_RNA)
where:
Base-Base interactions energy: -20.532
where: short stacking energy: -20.532
Base-Backbone interact. energy: -0.002
local terms energy: -28.416332
where:
bonds (distance) C4'-P energy: -3.218
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -43.083989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.083989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.083989 (E_RNA)
where:
Base-Base interactions energy: -18.254
where: short stacking energy: -16.681
Base-Backbone interact. energy: -0.002
local terms energy: -24.828431
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -38.997659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.997659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.997659 (E_RNA)
where:
Base-Base interactions energy: -13.581
where: short stacking energy: -13.495
Base-Backbone interact. energy: -0.000
local terms energy: -25.417093
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -39.330295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.330295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.330295 (E_RNA)
where:
Base-Base interactions energy: -15.662
where: short stacking energy: -15.662
Base-Backbone interact. energy: -0.001
local terms energy: -23.667385
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.814
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -1.355
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -39.708420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.708420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.708420 (E_RNA)
where:
Base-Base interactions energy: -14.266
where: short stacking energy: -14.266
Base-Backbone interact. energy: -0.003
local terms energy: -25.439401
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -32.521909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.521909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.521909 (E_RNA)
where:
Base-Base interactions energy: -6.893
where: short stacking energy: -6.893
Base-Backbone interact. energy: -0.298
local terms energy: -25.330587
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -5.720
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: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -44.503013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.503013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.503013 (E_RNA)
where:
Base-Base interactions energy: -17.809
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.000
local terms energy: -26.693523
where:
bonds (distance) C4'-P energy: -2.470
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.218
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -30.194136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.194136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.194136 (E_RNA)
where:
Base-Base interactions energy: -9.775
where: short stacking energy: -9.775
Base-Backbone interact. energy: -0.003
local terms energy: -20.416780
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -4.934
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -3.898
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -49.434037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.434037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.434037 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -22.345
Base-Backbone interact. energy: -0.000
local terms energy: -25.226532
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -1.761
tors. eta vs tors. theta energy: -3.597
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -42.793726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.793726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.793726 (E_RNA)
where:
Base-Base interactions energy: -15.992
where: short stacking energy: -15.992
Base-Backbone interact. energy: -0.023
local terms energy: -26.778508
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -55.161824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.161824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.161824 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.000
local terms energy: -28.321776
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -3.376
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: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -54.803869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.803869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.803869 (E_RNA)
where:
Base-Base interactions energy: -25.103
where: short stacking energy: -25.103
Base-Backbone interact. energy: -0.000
local terms energy: -29.700503
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.271
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -42.939617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.939617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.939617 (E_RNA)
where:
Base-Base interactions energy: -13.746
where: short stacking energy: -13.746
Base-Backbone interact. energy: -0.022
local terms energy: -29.171693
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -5.830
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: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -40.947032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.947032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.947032 (E_RNA)
where:
Base-Base interactions energy: -13.751
where: short stacking energy: -13.751
Base-Backbone interact. energy: -0.000
local terms energy: -27.195660
where:
bonds (distance) C4'-P energy: -4.924
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.640
flat angles P-C4'-P energy: -4.291
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: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -42.312143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.312143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.312143 (E_RNA)
where:
Base-Base interactions energy: -17.859
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.001
local terms energy: -24.452466
where:
bonds (distance) C4'-P energy: -5.554
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.491
flat angles P-C4'-P energy: -2.306
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -43.133414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.133414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.133414 (E_RNA)
where:
Base-Base interactions energy: -20.546
where: short stacking energy: -16.535
Base-Backbone interact. energy: -0.336
local terms energy: -22.251241
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.897
flat angles P-C4'-P energy: -1.544
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: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -38.907371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.907371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.907371 (E_RNA)
where:
Base-Base interactions energy: -14.826
where: short stacking energy: -14.826
Base-Backbone interact. energy: -0.000
local terms energy: -24.081387
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -3.924
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -36.267439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.267439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.267439 (E_RNA)
where:
Base-Base interactions energy: -10.910
where: short stacking energy: -10.910
Base-Backbone interact. energy: -0.046
local terms energy: -25.311199
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -50.818729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.818729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.818729 (E_RNA)
where:
Base-Base interactions energy: -22.392
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.000
local terms energy: -28.426062
where:
bonds (distance) C4'-P energy: -4.063
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -53.025743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.025743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.025743 (E_RNA)
where:
Base-Base interactions energy: -22.861
where: short stacking energy: -22.861
Base-Backbone interact. energy: -0.000
local terms energy: -30.164853
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.444
flat angles P-C4'-P energy: -4.515
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: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -51.481831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.481831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.481831 (E_RNA)
where:
Base-Base interactions energy: -24.640
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.000
local terms energy: -26.842260
where:
bonds (distance) C4'-P energy: -5.177
bonds (distance) P-C4' energy: -4.959
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -5.398
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: 369
Temperature: 1.050000
Total energy: -43.654169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.654169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.654169 (E_RNA)
where:
Base-Base interactions energy: -14.332
where: short stacking energy: -14.332
Base-Backbone interact. energy: -0.000
local terms energy: -29.321539
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -40.251484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.251484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.251484 (E_RNA)
where:
Base-Base interactions energy: -13.568
where: short stacking energy: -13.568
Base-Backbone interact. energy: -0.002
local terms energy: -26.680561
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -4.772
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -4.438
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: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -40.671453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.671453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.671453 (E_RNA)
where:
Base-Base interactions energy: -14.387
where: short stacking energy: -14.387
Base-Backbone interact. energy: -0.000
local terms energy: -26.284306
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -39.925998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.925998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.925998 (E_RNA)
where:
Base-Base interactions energy: -15.852
where: short stacking energy: -15.852
Base-Backbone interact. energy: -0.002
local terms energy: -24.072625
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -6.033
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -36.816437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.816437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.816437 (E_RNA)
where:
Base-Base interactions energy: -11.903
where: short stacking energy: -11.903
Base-Backbone interact. energy: -0.000
local terms energy: -24.912921
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -4.209
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: 369
Temperature: 1.300000
Total energy: -37.539486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.539486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.539486 (E_RNA)
where:
Base-Base interactions energy: -11.628
where: short stacking energy: -10.370
Base-Backbone interact. energy: -0.201
local terms energy: -25.710382
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -39.778180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.778180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.778180 (E_RNA)
where:
Base-Base interactions energy: -16.719
where: short stacking energy: -16.719
Base-Backbone interact. energy: -0.000
local terms energy: -23.059502
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -42.542560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.542560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.542560 (E_RNA)
where:
Base-Base interactions energy: -19.420
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.001
local terms energy: -23.121801
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -53.384779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.384779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.384779 (E_RNA)
where:
Base-Base interactions energy: -22.297
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.003
local terms energy: -31.084257
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -5.952
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -43.755726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.755726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.755726 (E_RNA)
where:
Base-Base interactions energy: -16.715
where: short stacking energy: -16.715
Base-Backbone interact. energy: -0.000
local terms energy: -27.040970
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -1.898
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -42.139280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.139280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.139280 (E_RNA)
where:
Base-Base interactions energy: -17.769
where: short stacking energy: -16.247
Base-Backbone interact. energy: -0.022
local terms energy: -24.348228
where:
bonds (distance) C4'-P energy: -3.348
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -5.465
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: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -41.416230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.416230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.416230 (E_RNA)
where:
Base-Base interactions energy: -14.989
where: short stacking energy: -14.989
Base-Backbone interact. energy: -0.017
local terms energy: -26.410021
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -2.267
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: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -42.905921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.905921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.905921 (E_RNA)
where:
Base-Base interactions energy: -17.916
where: short stacking energy: -17.263
Base-Backbone interact. energy: -0.001
local terms energy: -24.988669
where:
bonds (distance) C4'-P energy: -3.310
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -35.524914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.524914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.524914 (E_RNA)
where:
Base-Base interactions energy: -14.720
where: short stacking energy: -12.415
Base-Backbone interact. energy: -0.038
local terms energy: -20.766827
where:
bonds (distance) C4'-P energy: -3.579
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -0.506
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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -36.999721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.999721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.999721 (E_RNA)
where:
Base-Base interactions energy: -12.769
where: short stacking energy: -12.769
Base-Backbone interact. energy: -0.000
local terms energy: -24.230552
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -5.994
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -34.869732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.869732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.869732 (E_RNA)
where:
Base-Base interactions energy: -13.466
where: short stacking energy: -10.066
Base-Backbone interact. energy: -0.046
local terms energy: -21.357755
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -4.398
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -36.532092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.532092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.532092 (E_RNA)
where:
Base-Base interactions energy: -12.293
where: short stacking energy: -12.293
Base-Backbone interact. energy: -0.100
local terms energy: -24.140029
where:
bonds (distance) C4'-P energy: -4.775
bonds (distance) P-C4' energy: -5.980
flat angles C4'-P-C4' energy: -4.651
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -47.471523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.471523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.471523 (E_RNA)
where:
Base-Base interactions energy: -20.453
where: short stacking energy: -15.932
Base-Backbone interact. energy: -0.051
local terms energy: -26.967046
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -1.787
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: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -46.069079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.069079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.069079 (E_RNA)
where:
Base-Base interactions energy: -19.505
where: short stacking energy: -19.505
Base-Backbone interact. energy: -0.021
local terms energy: -26.543544
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -4.896
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -47.417511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.417511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.417511 (E_RNA)
where:
Base-Base interactions energy: -20.370
where: short stacking energy: -17.441
Base-Backbone interact. energy: -0.001
local terms energy: -27.046177
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -4.585
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -40.543741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.543741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.543741 (E_RNA)
where:
Base-Base interactions energy: -17.641
where: short stacking energy: -16.657
Base-Backbone interact. energy: -0.080
local terms energy: -22.822388
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -4.690
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -40.397481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.397481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.397481 (E_RNA)
where:
Base-Base interactions energy: -15.552
where: short stacking energy: -15.552
Base-Backbone interact. energy: -0.108
local terms energy: -24.736977
where:
bonds (distance) C4'-P energy: -4.171
bonds (distance) P-C4' energy: -7.263
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -39.680686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.680686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.680686 (E_RNA)
where:
Base-Base interactions energy: -13.928
where: short stacking energy: -13.928
Base-Backbone interact. energy: -0.025
local terms energy: -25.728086
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -4.314
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -41.845943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.845943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.845943 (E_RNA)
where:
Base-Base interactions energy: -15.247
where: short stacking energy: -15.247
Base-Backbone interact. energy: -0.000
local terms energy: -26.599091
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -34.691479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.691479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.691479 (E_RNA)
where:
Base-Base interactions energy: -12.035
where: short stacking energy: -9.851
Base-Backbone interact. energy: -0.055
local terms energy: -22.602389
where:
bonds (distance) C4'-P energy: -3.944
bonds (distance) P-C4' energy: -2.931
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -3.959
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: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -38.355810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.355810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.355810 (E_RNA)
where:
Base-Base interactions energy: -16.680
where: short stacking energy: -16.680
Base-Backbone interact. energy: -0.001
local terms energy: -21.674571
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -4.835
flat angles C4'-P-C4' energy: -5.542
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -31.303869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.303869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.303869 (E_RNA)
where:
Base-Base interactions energy: -11.820
where: short stacking energy: -11.820
Base-Backbone interact. energy: -0.007
local terms energy: -19.476187
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -3.391
flat angles P-C4'-P energy: -3.110
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: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -42.115097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.115097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.115097 (E_RNA)
where:
Base-Base interactions energy: -12.543
where: short stacking energy: -11.042
Base-Backbone interact. energy: -0.045
local terms energy: -29.526550
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -48.491109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.491109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.491109 (E_RNA)
where:
Base-Base interactions energy: -23.573
where: short stacking energy: -16.383
Base-Backbone interact. energy: -0.007
local terms energy: -24.910831
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -4.207
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: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -50.913199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.913199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.913199 (E_RNA)
where:
Base-Base interactions energy: -21.335
where: short stacking energy: -21.335
Base-Backbone interact. energy: -0.000
local terms energy: -29.578079
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.322
flat angles P-C4'-P energy: -5.404
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -39.453133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.453133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.453133 (E_RNA)
where:
Base-Base interactions energy: -12.130
where: short stacking energy: -9.953
Base-Backbone interact. energy: -0.080
local terms energy: -27.243203
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -41.941425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.941425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.941425 (E_RNA)
where:
Base-Base interactions energy: -16.918
where: short stacking energy: -16.918
Base-Backbone interact. energy: -0.001
local terms energy: -25.022914
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -4.121
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -4.460
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: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -41.328422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.328422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.328422 (E_RNA)
where:
Base-Base interactions energy: -17.213
where: short stacking energy: -14.687
Base-Backbone interact. energy: -0.071
local terms energy: -24.045221
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: -6.735
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -1.687
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -46.761940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.761940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.761940 (E_RNA)
where:
Base-Base interactions energy: -20.959
where: short stacking energy: -20.959
Base-Backbone interact. energy: -0.000
local terms energy: -25.802801
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -0.834
tors. eta vs tors. theta energy: -5.672
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: 372
Temperature: 1.250000
Total energy: -35.767325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.767325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.767325 (E_RNA)
where:
Base-Base interactions energy: -12.330
where: short stacking energy: -12.330
Base-Backbone interact. energy: -0.006
local terms energy: -23.431086
where:
bonds (distance) C4'-P energy: -3.993
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -33.442704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.442704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.442704 (E_RNA)
where:
Base-Base interactions energy: -14.682
where: short stacking energy: -14.682
Base-Backbone interact. energy: -0.001
local terms energy: -18.758926
where:
bonds (distance) C4'-P energy: -2.611
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -36.702008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.702008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.702008 (E_RNA)
where:
Base-Base interactions energy: -11.844
where: short stacking energy: -10.710
Base-Backbone interact. energy: -0.157
local terms energy: -24.701437
where:
bonds (distance) C4'-P energy: -6.067
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -57.025250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.025250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.025250 (E_RNA)
where:
Base-Base interactions energy: -24.070
where: short stacking energy: -24.070
Base-Backbone interact. energy: -0.000
local terms energy: -32.955205
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -49.390113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.390113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.390113 (E_RNA)
where:
Base-Base interactions energy: -20.329
where: short stacking energy: -20.075
Base-Backbone interact. energy: -0.000
local terms energy: -29.061572
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -4.627
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: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -53.848694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.848694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.848694 (E_RNA)
where:
Base-Base interactions energy: -21.481
where: short stacking energy: -21.481
Base-Backbone interact. energy: -0.000
local terms energy: -32.367782
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -8.063
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: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -48.457545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.457545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.457545 (E_RNA)
where:
Base-Base interactions energy: -17.476
where: short stacking energy: -17.476
Base-Backbone interact. energy: -0.000
local terms energy: -30.981877
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -43.278764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.278764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.278764 (E_RNA)
where:
Base-Base interactions energy: -16.954
where: short stacking energy: -16.201
Base-Backbone interact. energy: -0.558
local terms energy: -25.766929
where:
bonds (distance) C4'-P energy: -3.604
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -39.287001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.287001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.287001 (E_RNA)
where:
Base-Base interactions energy: -16.636
where: short stacking energy: -16.636
Base-Backbone interact. energy: -0.007
local terms energy: -22.643552
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -2.850
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -46.310604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.310604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.310604 (E_RNA)
where:
Base-Base interactions energy: -20.039
where: short stacking energy: -19.384
Base-Backbone interact. energy: -0.000
local terms energy: -26.271895
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.263
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -37.330190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.330190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.330190 (E_RNA)
where:
Base-Base interactions energy: -13.757
where: short stacking energy: -13.757
Base-Backbone interact. energy: -0.001
local terms energy: -23.573010
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -32.536368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.536368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.536368 (E_RNA)
where:
Base-Base interactions energy: -9.976
where: short stacking energy: -9.976
Base-Backbone interact. energy: -0.032
local terms energy: -22.527856
where:
bonds (distance) C4'-P energy: -4.895
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -2.581
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: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -34.549884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.549884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.549884 (E_RNA)
where:
Base-Base interactions energy: -14.528
where: short stacking energy: -14.528
Base-Backbone interact. energy: -0.000
local terms energy: -20.021319
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -4.744
flat angles C4'-P-C4' energy: -4.605
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -56.380667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.380667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.380667 (E_RNA)
where:
Base-Base interactions energy: -24.828
where: short stacking energy: -24.828
Base-Backbone interact. energy: -0.000
local terms energy: -31.552612
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -53.678225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.678225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.678225 (E_RNA)
where:
Base-Base interactions energy: -25.386
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.000
local terms energy: -28.291950
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.789
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -47.101700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.101700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.101700 (E_RNA)
where:
Base-Base interactions energy: -20.472
where: short stacking energy: -20.472
Base-Backbone interact. energy: -0.000
local terms energy: -26.629318
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -47.697718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.697718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.697718 (E_RNA)
where:
Base-Base interactions energy: -18.982
where: short stacking energy: -16.239
Base-Backbone interact. energy: -0.000
local terms energy: -28.715603
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -1.343
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -40.657948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.657948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.657948 (E_RNA)
where:
Base-Base interactions energy: -16.611
where: short stacking energy: -15.220
Base-Backbone interact. energy: -0.192
local terms energy: -23.855107
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -4.845
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -38.397107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.397107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.397107 (E_RNA)
where:
Base-Base interactions energy: -16.514
where: short stacking energy: -16.514
Base-Backbone interact. energy: -0.006
local terms energy: -21.877212
where:
bonds (distance) C4'-P energy: -5.149
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -3.060
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: -4.032
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: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -39.027442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.027442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.027442 (E_RNA)
where:
Base-Base interactions energy: -14.350
where: short stacking energy: -14.350
Base-Backbone interact. energy: -0.000
local terms energy: -24.677319
where:
bonds (distance) C4'-P energy: -5.119
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -1.813
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -39.436271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.436271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.436271 (E_RNA)
where:
Base-Base interactions energy: -12.105
where: short stacking energy: -12.105
Base-Backbone interact. energy: -0.017
local terms energy: -27.314105
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -36.568422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.568422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.568422 (E_RNA)
where:
Base-Base interactions energy: -13.161
where: short stacking energy: -13.161
Base-Backbone interact. energy: -0.014
local terms energy: -23.393753
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -5.058
flat angles P-C4'-P energy: 0.148
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: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -33.074789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.074789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.074789 (E_RNA)
where:
Base-Base interactions energy: -8.770
where: short stacking energy: -8.770
Base-Backbone interact. energy: -0.076
local terms energy: -24.228743
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -0.307
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: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -55.195579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.195579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.195579 (E_RNA)
where:
Base-Base interactions energy: -24.418
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.000
local terms energy: -30.777858
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -7.410
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -48.031823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.031823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.031823 (E_RNA)
where:
Base-Base interactions energy: -16.279
where: short stacking energy: -16.091
Base-Backbone interact. energy: -0.371
local terms energy: -31.381242
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -51.830838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.830838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.830838 (E_RNA)
where:
Base-Base interactions energy: -21.895
where: short stacking energy: -21.895
Base-Backbone interact. energy: -0.000
local terms energy: -29.935827
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -36.287870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.287870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.287870 (E_RNA)
where:
Base-Base interactions energy: -13.827
where: short stacking energy: -13.827
Base-Backbone interact. energy: 0.459
local terms energy: -22.919566
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.621
flat angles C4'-P-C4' energy: -3.632
flat angles P-C4'-P energy: -2.134
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -40.706756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.706756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.706756 (E_RNA)
where:
Base-Base interactions energy: -12.883
where: short stacking energy: -12.883
Base-Backbone interact. energy: -0.000
local terms energy: -27.823732
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -50.037532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.037532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.037532 (E_RNA)
where:
Base-Base interactions energy: -24.730
where: short stacking energy: -24.730
Base-Backbone interact. energy: -0.033
local terms energy: -25.274519
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -3.706
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -3.634
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: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -40.444794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.444794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.444794 (E_RNA)
where:
Base-Base interactions energy: -12.699
where: short stacking energy: -12.699
Base-Backbone interact. energy: -0.000
local terms energy: -27.745880
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -4.745
flat angles P-C4'-P energy: -5.135
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: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -36.953226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.953226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.953226 (E_RNA)
where:
Base-Base interactions energy: -13.596
where: short stacking energy: -13.596
Base-Backbone interact. energy: -0.001
local terms energy: -23.356307
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -6.547
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -3.519
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: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -32.616255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.616255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.616255 (E_RNA)
where:
Base-Base interactions energy: -10.097
where: short stacking energy: -9.756
Base-Backbone interact. energy: -0.010
local terms energy: -22.509693
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.016
flat angles P-C4'-P energy: -3.126
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: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -32.968472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.968472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.968472 (E_RNA)
where:
Base-Base interactions energy: -13.958
where: short stacking energy: -9.487
Base-Backbone interact. energy: 0.276
local terms energy: -19.286493
where:
bonds (distance) C4'-P energy: -3.774
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -4.418
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -48.588507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.588507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.588507 (E_RNA)
where:
Base-Base interactions energy: -19.710
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.001
local terms energy: -28.877874
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -47.925111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.925111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.925111 (E_RNA)
where:
Base-Base interactions energy: -22.175
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.001
local terms energy: -25.749623
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -5.392
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: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -50.717899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.717899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.717899 (E_RNA)
where:
Base-Base interactions energy: -21.872
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.000
local terms energy: -28.846193
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -4.671
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -41.071932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.071932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.071932 (E_RNA)
where:
Base-Base interactions energy: -15.925
where: short stacking energy: -15.925
Base-Backbone interact. energy: -0.001
local terms energy: -25.145688
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -38.379541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.379541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.379541 (E_RNA)
where:
Base-Base interactions energy: -17.000
where: short stacking energy: -15.155
Base-Backbone interact. energy: -0.011
local terms energy: -21.367924
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -3.267
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: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -40.793540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.793540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.793540 (E_RNA)
where:
Base-Base interactions energy: -16.851
where: short stacking energy: -16.452
Base-Backbone interact. energy: -0.001
local terms energy: -23.941793
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -4.215
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -41.957528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.957528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.957528 (E_RNA)
where:
Base-Base interactions energy: -16.418
where: short stacking energy: -16.418
Base-Backbone interact. energy: -0.009
local terms energy: -25.530224
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -4.477
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -3.181
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -32.612649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.612649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.612649 (E_RNA)
where:
Base-Base interactions energy: -8.514
where: short stacking energy: -8.514
Base-Backbone interact. energy: -0.100
local terms energy: -23.998567
where:
bonds (distance) C4'-P energy: -2.370
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -3.302
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: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -35.431173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.431173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.431173 (E_RNA)
where:
Base-Base interactions energy: -15.459
where: short stacking energy: -15.559
Base-Backbone interact. energy: -0.095
local terms energy: -19.876512
where:
bonds (distance) C4'-P energy: -3.878
bonds (distance) P-C4' energy: -4.799
flat angles C4'-P-C4' energy: -5.190
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -3.421
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: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -38.911638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.911638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.911638 (E_RNA)
where:
Base-Base interactions energy: -16.526
where: short stacking energy: -14.278
Base-Backbone interact. energy: 0.340
local terms energy: -22.726048
where:
bonds (distance) C4'-P energy: -4.195
bonds (distance) P-C4' energy: -4.389
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -4.698
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: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -46.265989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.265989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.265989 (E_RNA)
where:
Base-Base interactions energy: -22.023
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.019
local terms energy: -24.223978
where:
bonds (distance) C4'-P energy: -3.248
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.683
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -47.935851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.935851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.935851 (E_RNA)
where:
Base-Base interactions energy: -17.656
where: short stacking energy: -17.656
Base-Backbone interact. energy: -0.050
local terms energy: -30.230086
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -5.984
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: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -57.879893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.879893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.879893 (E_RNA)
where:
Base-Base interactions energy: -24.785
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.000
local terms energy: -33.095276
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -9.030
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: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -45.404406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.404406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.404406 (E_RNA)
where:
Base-Base interactions energy: -17.640
where: short stacking energy: -17.640
Base-Backbone interact. energy: -0.001
local terms energy: -27.763429
where:
bonds (distance) C4'-P energy: -5.785
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -36.323147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.323147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.323147 (E_RNA)
where:
Base-Base interactions energy: -12.951
where: short stacking energy: -12.820
Base-Backbone interact. energy: -0.586
local terms energy: -22.786374
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -36.099380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.099380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.099380 (E_RNA)
where:
Base-Base interactions energy: -8.020
where: short stacking energy: -8.020
Base-Backbone interact. energy: -0.025
local terms energy: -28.054148
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -40.801452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.801452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.801452 (E_RNA)
where:
Base-Base interactions energy: -16.343
where: short stacking energy: -14.510
Base-Backbone interact. energy: -0.001
local terms energy: -24.457525
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -6.374
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -45.503092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.503092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.503092 (E_RNA)
where:
Base-Base interactions energy: -23.488
where: short stacking energy: -23.488
Base-Backbone interact. energy: -0.065
local terms energy: -21.949292
where:
bonds (distance) C4'-P energy: -3.238
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -38.594911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.594911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.594911 (E_RNA)
where:
Base-Base interactions energy: -12.175
where: short stacking energy: -9.892
Base-Backbone interact. energy: 0.416
local terms energy: -26.835470
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.632
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -36.427637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.427637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.427637 (E_RNA)
where:
Base-Base interactions energy: -14.085
where: short stacking energy: -14.085
Base-Backbone interact. energy: -0.001
local terms energy: -22.341786
where:
bonds (distance) C4'-P energy: -4.723
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -57.369689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.369689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.369689 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -26.424
Base-Backbone interact. energy: -0.004
local terms energy: -26.707944
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -42.263154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.263154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.263154 (E_RNA)
where:
Base-Base interactions energy: -19.257
where: short stacking energy: -17.590
Base-Backbone interact. energy: -0.080
local terms energy: -22.926740
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -6.143
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -44.664695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.664695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.664695 (E_RNA)
where:
Base-Base interactions energy: -14.094
where: short stacking energy: -14.094
Base-Backbone interact. energy: -0.000
local terms energy: -30.571014
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -45.534661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.534661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.534661 (E_RNA)
where:
Base-Base interactions energy: -20.394
where: short stacking energy: -19.011
Base-Backbone interact. energy: -0.000
local terms energy: -25.140622
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -7.255
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -42.404957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.404957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.404957 (E_RNA)
where:
Base-Base interactions energy: -17.097
where: short stacking energy: -17.097
Base-Backbone interact. energy: -0.000
local terms energy: -25.307893
where:
bonds (distance) C4'-P energy: -4.109
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -3.245
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -40.267028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.267028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.267028 (E_RNA)
where:
Base-Base interactions energy: -12.435
where: short stacking energy: -12.435
Base-Backbone interact. energy: -0.057
local terms energy: -27.775407
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -39.052095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.052095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.052095 (E_RNA)
where:
Base-Base interactions energy: -16.918
where: short stacking energy: -16.344
Base-Backbone interact. energy: -0.098
local terms energy: -22.036045
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.756
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -2.751
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -38.003675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.003675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.003675 (E_RNA)
where:
Base-Base interactions energy: -16.184
where: short stacking energy: -16.184
Base-Backbone interact. energy: -0.000
local terms energy: -21.819434
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -5.309
flat angles C4'-P-C4' energy: -5.148
flat angles P-C4'-P energy: -3.404
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: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -30.503311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.503311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.503311 (E_RNA)
where:
Base-Base interactions energy: -9.341
where: short stacking energy: -9.341
Base-Backbone interact. energy: -0.000
local terms energy: -21.161765
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -29.906315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.906315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.906315 (E_RNA)
where:
Base-Base interactions energy: -8.747
where: short stacking energy: -1.157
Base-Backbone interact. energy: 0.198
local terms energy: -21.357613
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.863
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: 2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -52.716481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.716481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.716481 (E_RNA)
where:
Base-Base interactions energy: -20.740
where: short stacking energy: -20.740
Base-Backbone interact. energy: -0.000
local terms energy: -31.976869
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -59.769331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.769331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.769331 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.000
local terms energy: -32.492140
where:
bonds (distance) C4'-P energy: -4.564
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -49.471105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.471105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.471105 (E_RNA)
where:
Base-Base interactions energy: -25.010
where: short stacking energy: -25.010
Base-Backbone interact. energy: -0.000
local terms energy: -24.461361
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: 0.022
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -40.977018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.977018 (E_RNA)
where:
Base-Base interactions energy: -15.962
where: short stacking energy: -13.874
Base-Backbone interact. energy: 0.185
local terms energy: -25.200101
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -46.156477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.156477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.156477 (E_RNA)
where:
Base-Base interactions energy: -19.432
where: short stacking energy: -16.847
Base-Backbone interact. energy: -0.001
local terms energy: -26.723453
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -5.621
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -34.689115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.689115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.689115 (E_RNA)
where:
Base-Base interactions energy: -13.368
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.041
local terms energy: -21.280042
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.058
flat angles C4'-P-C4' energy: -7.202
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -37.718433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.718433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.718433 (E_RNA)
where:
Base-Base interactions energy: -16.140
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.103
local terms energy: -21.475493
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.216
flat angles P-C4'-P energy: -2.785
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: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -32.814956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.814956 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.102
local terms energy: -20.365252
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -4.019
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -2.014
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: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -35.954736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.954736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.954736 (E_RNA)
where:
Base-Base interactions energy: -12.924
where: short stacking energy: -12.924
Base-Backbone interact. energy: -0.096
local terms energy: -22.934811
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -4.240
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -5.383
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: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -31.743800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.743800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.743800 (E_RNA)
where:
Base-Base interactions energy: -11.146
where: short stacking energy: -11.146
Base-Backbone interact. energy: -0.032
local terms energy: -20.566094
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -1.011
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -59.737380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.737380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.737380 (E_RNA)
where:
Base-Base interactions energy: -27.798
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.000
local terms energy: -31.939239
where:
bonds (distance) C4'-P energy: -5.401
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -42.993871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.993871 (E_RNA)
where:
Base-Base interactions energy: -16.151
where: short stacking energy: -16.151
Base-Backbone interact. energy: -0.001
local terms energy: -26.841880
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -38.206728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.206728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.206728 (E_RNA)
where:
Base-Base interactions energy: -14.062
where: short stacking energy: -14.062
Base-Backbone interact. energy: 0.095
local terms energy: -24.239260
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -38.891801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.891801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.891801 (E_RNA)
where:
Base-Base interactions energy: -20.268
where: short stacking energy: -16.531
Base-Backbone interact. energy: -0.097
local terms energy: -18.526301
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -1.614
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -35.383485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.383485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.383485 (E_RNA)
where:
Base-Base interactions energy: -13.002
where: short stacking energy: -8.896
Base-Backbone interact. energy: 0.063
local terms energy: -22.444467
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -39.312541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.312541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.312541 (E_RNA)
where:
Base-Base interactions energy: -14.235
where: short stacking energy: -14.235
Base-Backbone interact. energy: -0.000
local terms energy: -25.077064
where:
bonds (distance) C4'-P energy: -4.052
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -41.183794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.183794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.183794 (E_RNA)
where:
Base-Base interactions energy: -13.352
where: short stacking energy: -13.352
Base-Backbone interact. energy: -0.025
local terms energy: -27.806912
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -36.049630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.049630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.049630 (E_RNA)
where:
Base-Base interactions energy: -10.800
where: short stacking energy: -10.628
Base-Backbone interact. energy: 0.785
local terms energy: -26.034482
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.595
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -33.553804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.553804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.553804 (E_RNA)
where:
Base-Base interactions energy: -12.164
where: short stacking energy: -12.164
Base-Backbone interact. energy: -0.001
local terms energy: -21.387888
where:
bonds (distance) C4'-P energy: -4.162
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -2.101
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -38.140428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.140428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.140428 (E_RNA)
where:
Base-Base interactions energy: -16.360
where: short stacking energy: -16.360
Base-Backbone interact. energy: -0.003
local terms energy: -21.777447
where:
bonds (distance) C4'-P energy: -5.396
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -4.517
flat angles P-C4'-P energy: -1.289
tors. eta vs tors. theta energy: -2.813
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: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -48.527764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.527764 (E_RNA)
where:
Base-Base interactions energy: -20.801
where: short stacking energy: -20.801
Base-Backbone interact. energy: 0.833
local terms energy: -28.559645
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.545
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -46.891974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.891974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.891974 (E_RNA)
where:
Base-Base interactions energy: -20.506
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.039
local terms energy: -26.346784
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -44.519595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.519595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.519595 (E_RNA)
where:
Base-Base interactions energy: -16.287
where: short stacking energy: -16.287
Base-Backbone interact. energy: -0.085
local terms energy: -28.147346
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -42.586340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.586340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.586340 (E_RNA)
where:
Base-Base interactions energy: -17.104
where: short stacking energy: -17.104
Base-Backbone interact. energy: -0.103
local terms energy: -25.378563
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -1.877
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -39.363882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.363882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.363882 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -12.079
Base-Backbone interact. energy: -0.000
local terms energy: -26.006643
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.843
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -43.639454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.639454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.639454 (E_RNA)
where:
Base-Base interactions energy: -23.359
where: short stacking energy: -17.676
Base-Backbone interact. energy: -0.000
local terms energy: -20.280756
where:
bonds (distance) C4'-P energy: -3.885
bonds (distance) P-C4' energy: -3.706
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -1.907
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -41.752055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.752055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.752055 (E_RNA)
where:
Base-Base interactions energy: -16.150
where: short stacking energy: -16.150
Base-Backbone interact. energy: -0.000
local terms energy: -25.602543
where:
bonds (distance) C4'-P energy: -3.931
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -31.668607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.668607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.668607 (E_RNA)
where:
Base-Base interactions energy: -12.206
where: short stacking energy: -12.206
Base-Backbone interact. energy: -0.082
local terms energy: -19.381011
where:
bonds (distance) C4'-P energy: -3.658
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.975
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -36.419130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.419130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.419130 (E_RNA)
where:
Base-Base interactions energy: -12.450
where: short stacking energy: -12.450
Base-Backbone interact. energy: -0.022
local terms energy: -23.946594
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.254
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -33.102127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.102127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.102127 (E_RNA)
where:
Base-Base interactions energy: -12.501
where: short stacking energy: -12.501
Base-Backbone interact. energy: -0.042
local terms energy: -20.559635
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -3.066
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -49.549144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.549144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.549144 (E_RNA)
where:
Base-Base interactions energy: -19.364
where: short stacking energy: -19.364
Base-Backbone interact. energy: -0.001
local terms energy: -30.184411
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -6.838
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -6.211
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: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -48.438281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.438281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.438281 (E_RNA)
where:
Base-Base interactions energy: -20.738
where: short stacking energy: -20.738
Base-Backbone interact. energy: -0.002
local terms energy: -27.698064
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -4.834
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: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -56.530981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.530981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.530981 (E_RNA)
where:
Base-Base interactions energy: -24.174
where: short stacking energy: -24.174
Base-Backbone interact. energy: -0.000
local terms energy: -32.356512
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -5.789
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: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -45.351191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.351191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.351191 (E_RNA)
where:
Base-Base interactions energy: -19.206
where: short stacking energy: -19.206
Base-Backbone interact. energy: -0.181
local terms energy: -25.964138
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -3.654
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: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -41.346875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.346875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.346875 (E_RNA)
where:
Base-Base interactions energy: -21.705
where: short stacking energy: -21.705
Base-Backbone interact. energy: -0.005
local terms energy: -19.636873
where:
bonds (distance) C4'-P energy: -1.874
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -1.691
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -6.529
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: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -50.995111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.995111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.995111 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -17.180
Base-Backbone interact. energy: -0.026
local terms energy: -27.727076
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -5.790
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -4.009
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -40.317886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.317886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.317886 (E_RNA)
where:
Base-Base interactions energy: -12.897
where: short stacking energy: -12.897
Base-Backbone interact. energy: -0.000
local terms energy: -27.420832
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -34.539385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.539385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.539385 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.032
local terms energy: -20.456178
where:
bonds (distance) C4'-P energy: -5.351
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -2.933
flat angles P-C4'-P energy: -1.294
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -37.185850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.185850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.185850 (E_RNA)
where:
Base-Base interactions energy: -14.604
where: short stacking energy: -13.955
Base-Backbone interact. energy: -0.082
local terms energy: -22.500053
where:
bonds (distance) C4'-P energy: -3.762
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -31.323820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.323820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.323820 (E_RNA)
where:
Base-Base interactions energy: -12.160
where: short stacking energy: -12.160
Base-Backbone interact. energy: -0.088
local terms energy: -19.075211
where:
bonds (distance) C4'-P energy: -4.394
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -54.621118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.621118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.621118 (E_RNA)
where:
Base-Base interactions energy: -24.496
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.008
local terms energy: -30.116958
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -44.401901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.401901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.401901 (E_RNA)
where:
Base-Base interactions energy: -18.512
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.000
local terms energy: -25.890149
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -4.841
flat angles P-C4'-P energy: -4.797
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: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -49.776723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.776723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.776723 (E_RNA)
where:
Base-Base interactions energy: -21.012
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.076
local terms energy: -28.688726
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -7.272
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -44.734736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.734736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.734736 (E_RNA)
where:
Base-Base interactions energy: -18.303
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.002
local terms energy: -26.429589
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -42.533808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.533808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.533808 (E_RNA)
where:
Base-Base interactions energy: -19.220
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.014
local terms energy: -23.300431
where:
bonds (distance) C4'-P energy: -5.520
bonds (distance) P-C4' energy: -3.753
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -43.918456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.918456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.918456 (E_RNA)
where:
Base-Base interactions energy: -16.588
where: short stacking energy: -16.588
Base-Backbone interact. energy: -0.000
local terms energy: -27.330762
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.491
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -2.629
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -40.624072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.624072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.624072 (E_RNA)
where:
Base-Base interactions energy: -16.894
where: short stacking energy: -16.894
Base-Backbone interact. energy: -0.000
local terms energy: -23.730024
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -3.970
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -34.203433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.203433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.203433 (E_RNA)
where:
Base-Base interactions energy: -16.571
where: short stacking energy: -13.938
Base-Backbone interact. energy: 0.481
local terms energy: -18.113466
where:
bonds (distance) C4'-P energy: -2.168
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -35.390565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.390565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.390565 (E_RNA)
where:
Base-Base interactions energy: -13.650
where: short stacking energy: -13.650
Base-Backbone interact. energy: -0.004
local terms energy: -21.736909
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -5.994
flat angles C4'-P-C4' energy: -5.526
flat angles P-C4'-P energy: -1.768
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -32.445416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.445416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.445416 (E_RNA)
where:
Base-Base interactions energy: -11.820
where: short stacking energy: -11.820
Base-Backbone interact. energy: -0.002
local terms energy: -20.622978
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.000
flat angles P-C4'-P energy: -1.382
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -60.184183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.184183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.184183 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.000
local terms energy: -32.219783
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -7.195
flat angles P-C4'-P energy: -2.690
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: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -55.135723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.135723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.135723 (E_RNA)
where:
Base-Base interactions energy: -23.880
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.000
local terms energy: -31.255770
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -46.257165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.257165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.257165 (E_RNA)
where:
Base-Base interactions energy: -21.879
where: short stacking energy: -21.879
Base-Backbone interact. energy: -0.071
local terms energy: -24.307090
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -4.835
flat angles C4'-P-C4' energy: -5.346
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -48.028398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.028398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.028398 (E_RNA)
where:
Base-Base interactions energy: -18.220
where: short stacking energy: -18.220
Base-Backbone interact. energy: -0.000
local terms energy: -29.808485
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.774
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -6.260
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: 384
Temperature: 1.100000
Total energy: -38.895505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.895505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.895505 (E_RNA)
where:
Base-Base interactions energy: -12.794
where: short stacking energy: -10.801
Base-Backbone interact. energy: -0.057
local terms energy: -26.044061
where:
bonds (distance) C4'-P energy: -5.143
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -40.721178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.721178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.721178 (E_RNA)
where:
Base-Base interactions energy: -16.292
where: short stacking energy: -14.328
Base-Backbone interact. energy: -0.034
local terms energy: -24.395881
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -3.164
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -38.690502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.690502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.690502 (E_RNA)
where:
Base-Base interactions energy: -10.726
where: short stacking energy: -10.726
Base-Backbone interact. energy: -0.084
local terms energy: -27.880712
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -33.511176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.511176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.511176 (E_RNA)
where:
Base-Base interactions energy: -10.882
where: short stacking energy: -10.650
Base-Backbone interact. energy: -0.001
local terms energy: -22.628059
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -37.157180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.157180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.157180 (E_RNA)
where:
Base-Base interactions energy: -13.182
where: short stacking energy: -13.182
Base-Backbone interact. energy: -0.000
local terms energy: -23.975200
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -5.293
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -30.275244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.275244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.275244 (E_RNA)
where:
Base-Base interactions energy: -7.753
where: short stacking energy: -7.753
Base-Backbone interact. energy: -0.046
local terms energy: -22.475564
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -3.721
flat angles P-C4'-P energy: -3.704
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: 385
Temperature: 0.900000
Total energy: -52.321173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.321173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.321173 (E_RNA)
where:
Base-Base interactions energy: -26.701
where: short stacking energy: -24.206
Base-Backbone interact. energy: -0.000
local terms energy: -25.620301
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -6.529
flat angles C4'-P-C4' energy: -3.313
flat angles P-C4'-P energy: -3.977
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: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -47.178495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.178495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.178495 (E_RNA)
where:
Base-Base interactions energy: -18.729
where: short stacking energy: -18.729
Base-Backbone interact. energy: -0.000
local terms energy: -28.449125
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.521
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -45.117580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.117580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.117580 (E_RNA)
where:
Base-Base interactions energy: -20.113
where: short stacking energy: -16.207
Base-Backbone interact. energy: -0.110
local terms energy: -24.894598
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -49.320161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.320161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.320161 (E_RNA)
where:
Base-Base interactions energy: -20.483
where: short stacking energy: -20.483
Base-Backbone interact. energy: -0.000
local terms energy: -28.836747
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.371
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -5.656
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: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -45.854946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.854946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.854946 (E_RNA)
where:
Base-Base interactions energy: -21.543
where: short stacking energy: -21.543
Base-Backbone interact. energy: -0.012
local terms energy: -24.299652
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -3.946
flat angles C4'-P-C4' energy: -5.558
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -44.287840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.287840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.287840 (E_RNA)
where:
Base-Base interactions energy: -22.535
where: short stacking energy: -22.535
Base-Backbone interact. energy: -0.001
local terms energy: -21.751700
where:
bonds (distance) C4'-P energy: -3.807
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -0.996
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -36.928561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.928561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.928561 (E_RNA)
where:
Base-Base interactions energy: -12.389
where: short stacking energy: -12.389
Base-Backbone interact. energy: -0.100
local terms energy: -24.439955
where:
bonds (distance) C4'-P energy: -2.974
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -2.884
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: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -34.544955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.544955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.544955 (E_RNA)
where:
Base-Base interactions energy: -13.406
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.056
local terms energy: -21.083229
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -38.794568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.794568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.794568 (E_RNA)
where:
Base-Base interactions energy: -19.217
where: short stacking energy: -16.216
Base-Backbone interact. energy: -0.060
local terms energy: -19.517252
where:
bonds (distance) C4'-P energy: -4.333
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -1.470
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -38.109355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.109355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.109355 (E_RNA)
where:
Base-Base interactions energy: -12.340
where: short stacking energy: -9.739
Base-Backbone interact. energy: -0.439
local terms energy: -25.330499
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.404
flat angles C4'-P-C4' energy: -6.174
flat angles P-C4'-P energy: -2.432
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -52.591420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.591420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.591420 (E_RNA)
where:
Base-Base interactions energy: -21.028
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.000
local terms energy: -31.562776
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.769
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -42.966788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.966788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.966788 (E_RNA)
where:
Base-Base interactions energy: -15.748
where: short stacking energy: -15.748
Base-Backbone interact. energy: -0.000
local terms energy: -27.219003
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -4.921
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: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -53.908944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.908944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.908944 (E_RNA)
where:
Base-Base interactions energy: -24.851
where: short stacking energy: -24.851
Base-Backbone interact. energy: -0.000
local terms energy: -29.058154
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -49.303398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.303398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.303398 (E_RNA)
where:
Base-Base interactions energy: -17.787
where: short stacking energy: -17.787
Base-Backbone interact. energy: -0.000
local terms energy: -31.516364
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -7.319
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: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -43.799199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.799199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.799199 (E_RNA)
where:
Base-Base interactions energy: -17.214
where: short stacking energy: -17.214
Base-Backbone interact. energy: -0.000
local terms energy: -26.585527
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -3.051
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -40.288986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.288986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.288986 (E_RNA)
where:
Base-Base interactions energy: -13.112
where: short stacking energy: -13.112
Base-Backbone interact. energy: -0.035
local terms energy: -27.141303
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -36.976565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.976565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.976565 (E_RNA)
where:
Base-Base interactions energy: -10.913
where: short stacking energy: -9.651
Base-Backbone interact. energy: -0.000
local terms energy: -26.063632
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -34.044900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.044900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.044900 (E_RNA)
where:
Base-Base interactions energy: -13.100
where: short stacking energy: -13.100
Base-Backbone interact. energy: -0.000
local terms energy: -20.944564
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.420
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -0.392
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -33.341733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.341733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.341733 (E_RNA)
where:
Base-Base interactions energy: -8.233
where: short stacking energy: -8.233
Base-Backbone interact. energy: -0.002
local terms energy: -25.107462
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -32.690915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.690915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.690915 (E_RNA)
where:
Base-Base interactions energy: -10.894
where: short stacking energy: -10.894
Base-Backbone interact. energy: -0.013
local terms energy: -21.783320
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: -3.125
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: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -53.396481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.396481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.396481 (E_RNA)
where:
Base-Base interactions energy: -22.391
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.006
local terms energy: -30.999363
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.206
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -5.673
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: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -46.933094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.933094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.933094 (E_RNA)
where:
Base-Base interactions energy: -19.265
where: short stacking energy: -19.265
Base-Backbone interact. energy: -0.001
local terms energy: -27.666637
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -2.786
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -55.384770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.384770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.384770 (E_RNA)
where:
Base-Base interactions energy: -23.205
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.000
local terms energy: -32.180136
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -46.219000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.219000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.219000 (E_RNA)
where:
Base-Base interactions energy: -21.968
where: short stacking energy: -21.968
Base-Backbone interact. energy: -0.000
local terms energy: -24.250973
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -40.265610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.265610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.265610 (E_RNA)
where:
Base-Base interactions energy: -18.892
where: short stacking energy: -18.892
Base-Backbone interact. energy: -0.001
local terms energy: -21.373019
where:
bonds (distance) C4'-P energy: -2.031
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -4.411
flat angles P-C4'-P energy: -3.076
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: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -44.511835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.511835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.511835 (E_RNA)
where:
Base-Base interactions energy: -16.542
where: short stacking energy: -16.542
Base-Backbone interact. energy: -0.847
local terms energy: -27.122444
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -49.698950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.698950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.698950 (E_RNA)
where:
Base-Base interactions energy: -24.642
where: short stacking energy: -24.099
Base-Backbone interact. energy: -0.000
local terms energy: -25.056847
where:
bonds (distance) C4'-P energy: -4.813
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -0.989
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -36.733878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.733878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.733878 (E_RNA)
where:
Base-Base interactions energy: -16.010
where: short stacking energy: -14.148
Base-Backbone interact. energy: -0.000
local terms energy: -20.724073
where:
bonds (distance) C4'-P energy: -3.330
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -35.571015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.571015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.571015 (E_RNA)
where:
Base-Base interactions energy: -12.493
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.001
local terms energy: -23.077728
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -45.950667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.950667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.950667 (E_RNA)
where:
Base-Base interactions energy: -19.970
where: short stacking energy: -17.918
Base-Backbone interact. energy: -0.036
local terms energy: -25.945066
where:
bonds (distance) C4'-P energy: -4.564
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.160
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -5.257
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: 388
Temperature: 0.900000
Total energy: -50.040127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.040127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.040127 (E_RNA)
where:
Base-Base interactions energy: -23.558
where: short stacking energy: -23.558
Base-Backbone interact. energy: -0.000
local terms energy: -26.481993
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -2.575
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: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -50.597082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.597082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.597082 (E_RNA)
where:
Base-Base interactions energy: -22.753
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.002
local terms energy: -27.842171
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -6.161
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -46.105288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.105288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.105288 (E_RNA)
where:
Base-Base interactions energy: -20.521
where: short stacking energy: -20.521
Base-Backbone interact. energy: -0.000
local terms energy: -25.584705
where:
bonds (distance) C4'-P energy: -5.857
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -0.535
tors. eta vs tors. theta energy: -5.455
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: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -47.549872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.549872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.549872 (E_RNA)
where:
Base-Base interactions energy: -20.428
where: short stacking energy: -20.428
Base-Backbone interact. energy: -0.004
local terms energy: -27.118787
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.104
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -38.568467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.568467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.568467 (E_RNA)
where:
Base-Base interactions energy: -11.655
where: short stacking energy: -11.655
Base-Backbone interact. energy: -0.002
local terms energy: -26.911805
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -39.637494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.637494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.637494 (E_RNA)
where:
Base-Base interactions energy: -14.251
where: short stacking energy: -7.179
Base-Backbone interact. energy: 0.446
local terms energy: -25.832277
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -0.535
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: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -34.302793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.302793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.302793 (E_RNA)
where:
Base-Base interactions energy: -12.946
where: short stacking energy: -12.255
Base-Backbone interact. energy: -0.017
local terms energy: -21.339398
where:
bonds (distance) C4'-P energy: -6.089
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -1.286
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -37.509582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.509582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.509582 (E_RNA)
where:
Base-Base interactions energy: -12.770
where: short stacking energy: -12.770
Base-Backbone interact. energy: -0.001
local terms energy: -24.738420
where:
bonds (distance) C4'-P energy: -4.659
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.365
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -36.358920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.358920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.358920 (E_RNA)
where:
Base-Base interactions energy: -11.919
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.008
local terms energy: -24.431584
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -36.173617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.173617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.173617 (E_RNA)
where:
Base-Base interactions energy: -15.416
where: short stacking energy: -15.416
Base-Backbone interact. energy: -0.001
local terms energy: -20.756562
where:
bonds (distance) C4'-P energy: 0.117
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.846
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -2.787
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: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -55.797209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.797209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.797209 (E_RNA)
where:
Base-Base interactions energy: -27.678
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.000
local terms energy: -28.118784
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -4.523
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -52.273051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.273051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.273051 (E_RNA)
where:
Base-Base interactions energy: -24.434
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.000
local terms energy: -27.838719
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.481
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -43.341876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.341876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.341876 (E_RNA)
where:
Base-Base interactions energy: -16.277
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.139
local terms energy: -26.926500
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -42.001869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.001869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.001869 (E_RNA)
where:
Base-Base interactions energy: -14.603
where: short stacking energy: -13.941
Base-Backbone interact. energy: -0.040
local terms energy: -27.359020
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -54.253105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.253105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.253105 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.010
local terms energy: -29.606835
where:
bonds (distance) C4'-P energy: -6.291
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -6.508
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -44.782816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.782816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.782816 (E_RNA)
where:
Base-Base interactions energy: -18.113
where: short stacking energy: -18.113
Base-Backbone interact. energy: -0.000
local terms energy: -26.669915
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -38.293343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.293343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.293343 (E_RNA)
where:
Base-Base interactions energy: -13.880
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.000
local terms energy: -24.412975
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -33.905705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.905705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.905705 (E_RNA)
where:
Base-Base interactions energy: -12.787
where: short stacking energy: -12.664
Base-Backbone interact. energy: -0.000
local terms energy: -21.118812
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -3.473
flat angles C4'-P-C4' energy: -5.281
flat angles P-C4'-P energy: -0.480
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -40.096600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.096600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.096600 (E_RNA)
where:
Base-Base interactions energy: -14.756
where: short stacking energy: -14.756
Base-Backbone interact. energy: -0.003
local terms energy: -25.337748
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -3.721
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: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -36.237599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.237599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.237599 (E_RNA)
where:
Base-Base interactions energy: -11.787
where: short stacking energy: -11.787
Base-Backbone interact. energy: -0.031
local terms energy: -24.419234
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -2.407
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: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -57.459486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.459486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.459486 (E_RNA)
where:
Base-Base interactions energy: -26.568
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.000
local terms energy: -30.891382
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -7.691
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: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -47.073139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.073139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.073139 (E_RNA)
where:
Base-Base interactions energy: -18.385
where: short stacking energy: -17.189
Base-Backbone interact. energy: -0.034
local terms energy: -28.654077
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -7.324
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -46.373225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.373225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.373225 (E_RNA)
where:
Base-Base interactions energy: -23.608
where: short stacking energy: -20.631
Base-Backbone interact. energy: -0.055
local terms energy: -22.710297
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -4.591
flat angles C4'-P-C4' energy: -4.689
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -40.209234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.209234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.209234 (E_RNA)
where:
Base-Base interactions energy: -13.834
where: short stacking energy: -13.834
Base-Backbone interact. energy: -0.024
local terms energy: -26.352033
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -37.320035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.320035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.320035 (E_RNA)
where:
Base-Base interactions energy: -15.172
where: short stacking energy: -13.257
Base-Backbone interact. energy: -0.000
local terms energy: -22.148052
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -4.686
flat angles C4'-P-C4' energy: -5.267
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -44.724105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.724105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.724105 (E_RNA)
where:
Base-Base interactions energy: -16.526
where: short stacking energy: -16.526
Base-Backbone interact. energy: -0.007
local terms energy: -28.191445
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.326
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -1.376
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: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -36.597604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.597604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.597604 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -10.628
Base-Backbone interact. energy: -0.080
local terms energy: -25.889452
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -0.990
tors. eta vs tors. theta energy: -4.481
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: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -41.909067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.909067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.909067 (E_RNA)
where:
Base-Base interactions energy: -15.043
where: short stacking energy: -15.043
Base-Backbone interact. energy: -0.000
local terms energy: -26.866225
where:
bonds (distance) C4'-P energy: -4.750
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -38.346994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.346994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.346994 (E_RNA)
where:
Base-Base interactions energy: -14.827
where: short stacking energy: -14.827
Base-Backbone interact. energy: -0.000
local terms energy: -23.519472
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -5.063
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -33.223260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.223260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.223260 (E_RNA)
where:
Base-Base interactions energy: -8.579
where: short stacking energy: -7.869
Base-Backbone interact. energy: -0.018
local terms energy: -24.625667
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -6.606
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -38.651155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.651155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.651155 (E_RNA)
where:
Base-Base interactions energy: -14.060
where: short stacking energy: -12.264
Base-Backbone interact. energy: -0.013
local terms energy: -24.577762
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -58.766912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.766912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.766912 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.000
local terms energy: -32.558386
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.600
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -45.225499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.225499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.225499 (E_RNA)
where:
Base-Base interactions energy: -21.996
where: short stacking energy: -21.996
Base-Backbone interact. energy: -0.001
local terms energy: -23.228531
where:
bonds (distance) C4'-P energy: -4.581
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -1.332
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -41.805695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.805695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.805695 (E_RNA)
where:
Base-Base interactions energy: -18.234
where: short stacking energy: -18.234
Base-Backbone interact. energy: -0.000
local terms energy: -23.571994
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -5.737
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -1.753
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -38.963451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.963451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.963451 (E_RNA)
where:
Base-Base interactions energy: -13.011
where: short stacking energy: -13.011
Base-Backbone interact. energy: -0.005
local terms energy: -25.948115
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.399
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -37.801045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.801045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.801045 (E_RNA)
where:
Base-Base interactions energy: -14.736
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.019
local terms energy: -23.046404
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: -0.847
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: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -39.000976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.000976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.000976 (E_RNA)
where:
Base-Base interactions energy: -15.304
where: short stacking energy: -15.159
Base-Backbone interact. energy: -0.001
local terms energy: -23.696438
where:
bonds (distance) C4'-P energy: -4.706
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.048
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: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -42.079268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.079268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.079268 (E_RNA)
where:
Base-Base interactions energy: -17.937
where: short stacking energy: -17.937
Base-Backbone interact. energy: -0.046
local terms energy: -24.096181
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -5.050
flat angles C4'-P-C4' energy: -4.645
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -38.073659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.073659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.073659 (E_RNA)
where:
Base-Base interactions energy: -13.249
where: short stacking energy: -13.249
Base-Backbone interact. energy: -0.101
local terms energy: -24.723925
where:
bonds (distance) C4'-P energy: -5.658
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.813
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -35.305546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.305546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.305546 (E_RNA)
where:
Base-Base interactions energy: -11.021
where: short stacking energy: -11.021
Base-Backbone interact. energy: -0.006
local terms energy: -24.278070
where:
bonds (distance) C4'-P energy: -5.483
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -62.999222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.999222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.999222 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.000
local terms energy: -36.318873
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -46.109864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.109864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.109864 (E_RNA)
where:
Base-Base interactions energy: -19.246
where: short stacking energy: -19.246
Base-Backbone interact. energy: -0.001
local terms energy: -26.863377
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -45.615047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.615047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.615047 (E_RNA)
where:
Base-Base interactions energy: -18.298
where: short stacking energy: -18.298
Base-Backbone interact. energy: -0.055
local terms energy: -27.261989
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -50.699261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.699261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.699261 (E_RNA)
where:
Base-Base interactions energy: -20.329
where: short stacking energy: -20.329
Base-Backbone interact. energy: -0.000
local terms energy: -30.369847
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -3.486
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -43.921999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.921999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.921999 (E_RNA)
where:
Base-Base interactions energy: -15.017
where: short stacking energy: -15.017
Base-Backbone interact. energy: -0.000
local terms energy: -28.905003
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -37.304345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.304345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.304345 (E_RNA)
where:
Base-Base interactions energy: -14.448
where: short stacking energy: -14.448
Base-Backbone interact. energy: -0.016
local terms energy: -22.841084
where:
bonds (distance) C4'-P energy: -4.419
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -5.086
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: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -39.672866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.672866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.672866 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -13.431
Base-Backbone interact. energy: -0.002
local terms energy: -24.559731
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -3.193
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: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -41.051643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.051643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.051643 (E_RNA)
where:
Base-Base interactions energy: -18.645
where: short stacking energy: -18.645
Base-Backbone interact. energy: -0.008
local terms energy: -22.398590
where:
bonds (distance) C4'-P energy: -5.372
bonds (distance) P-C4' energy: -4.790
flat angles C4'-P-C4' energy: -3.373
flat angles P-C4'-P energy: -4.215
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: 392
Temperature: 1.300000
Total energy: -36.596546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.596546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.596546 (E_RNA)
where:
Base-Base interactions energy: -11.137
where: short stacking energy: -3.149
Base-Backbone interact. energy: -0.142
local terms energy: -25.317433
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.676
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -34.943872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.943872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.943872 (E_RNA)
where:
Base-Base interactions energy: -11.422
where: short stacking energy: -7.828
Base-Backbone interact. energy: -0.015
local terms energy: -23.507220
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -5.770
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -0.334
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: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -57.802269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.802269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.802269 (E_RNA)
where:
Base-Base interactions energy: -24.481
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.000
local terms energy: -33.321533
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -6.424
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: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -51.057171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.057171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.057171 (E_RNA)
where:
Base-Base interactions energy: -21.319
where: short stacking energy: -21.060
Base-Backbone interact. energy: -0.000
local terms energy: -29.737753
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -6.559
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -46.810557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.810557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.810557 (E_RNA)
where:
Base-Base interactions energy: -19.390
where: short stacking energy: -16.759
Base-Backbone interact. energy: -0.000
local terms energy: -27.420719
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.895
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -36.194957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.194957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.194957 (E_RNA)
where:
Base-Base interactions energy: -12.036
where: short stacking energy: -12.036
Base-Backbone interact. energy: 0.211
local terms energy: -24.370195
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -4.809
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: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -45.283005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.283005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.283005 (E_RNA)
where:
Base-Base interactions energy: -19.796
where: short stacking energy: -19.594
Base-Backbone interact. energy: -0.001
local terms energy: -25.486076
where:
bonds (distance) C4'-P energy: -1.899
bonds (distance) P-C4' energy: -5.230
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -7.680
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: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -43.933881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.933881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.933881 (E_RNA)
where:
Base-Base interactions energy: -17.390
where: short stacking energy: -17.218
Base-Backbone interact. energy: -0.004
local terms energy: -26.539666
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -4.757
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: 393
Temperature: 1.200000
Total energy: -39.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.629955 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -12.849
Base-Backbone interact. energy: -0.098
local terms energy: -26.683755
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -5.852
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: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -35.088623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.088623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.088623 (E_RNA)
where:
Base-Base interactions energy: -12.231
where: short stacking energy: -12.215
Base-Backbone interact. energy: -0.626
local terms energy: -22.231521
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.040
flat angles P-C4'-P energy: -1.600
tors. eta vs tors. theta energy: -3.339
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -31.712968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.712968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.712968 (E_RNA)
where:
Base-Base interactions energy: -8.677
where: short stacking energy: -8.677
Base-Backbone interact. energy: -0.003
local terms energy: -23.032093
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: 1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -34.450697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.450697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.450697 (E_RNA)
where:
Base-Base interactions energy: -11.376
where: short stacking energy: -11.100
Base-Backbone interact. energy: -0.001
local terms energy: -23.073883
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -3.259
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: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -57.960366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.960366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.960366 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.000
local terms energy: -31.590832
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -49.142727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.142727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.142727 (E_RNA)
where:
Base-Base interactions energy: -21.886
where: short stacking energy: -21.886
Base-Backbone interact. energy: -0.001
local terms energy: -27.256030
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -4.434
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: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -45.689597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.689597 (E_RNA)
where:
Base-Base interactions energy: -18.047
where: short stacking energy: -16.504
Base-Backbone interact. energy: -0.037
local terms energy: -27.606311
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -46.225086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.225086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.225086 (E_RNA)
where:
Base-Base interactions energy: -20.007
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.002
local terms energy: -26.216145
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -40.081577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.081577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.081577 (E_RNA)
where:
Base-Base interactions energy: -16.455
where: short stacking energy: -16.455
Base-Backbone interact. energy: -0.000
local terms energy: -23.626020
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -4.544
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -3.484
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: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -43.390344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.390344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.390344 (E_RNA)
where:
Base-Base interactions energy: -17.178
where: short stacking energy: -17.178
Base-Backbone interact. energy: -0.001
local terms energy: -26.211298
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.501
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -35.599087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.599087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.599087 (E_RNA)
where:
Base-Base interactions energy: -9.981
where: short stacking energy: -9.981
Base-Backbone interact. energy: -0.106
local terms energy: -25.511841
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -6.656
flat angles C4'-P-C4' energy: -6.073
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -2.607
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: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -41.329085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.329085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.329085 (E_RNA)
where:
Base-Base interactions energy: -15.696
where: short stacking energy: -15.696
Base-Backbone interact. energy: -0.039
local terms energy: -25.594172
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -4.587
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -4.742
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: 394
Temperature: 1.300000
Total energy: -33.473756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.473756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.473756 (E_RNA)
where:
Base-Base interactions energy: -11.298
where: short stacking energy: -11.298
Base-Backbone interact. energy: -0.009
local terms energy: -22.166678
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -4.470
flat angles C4'-P-C4' energy: -6.426
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -37.083233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.083233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.083233 (E_RNA)
where:
Base-Base interactions energy: -13.083
where: short stacking energy: -13.083
Base-Backbone interact. energy: -0.131
local terms energy: -23.869500
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.202
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -1.421
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: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -57.317407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.317407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.317407 (E_RNA)
where:
Base-Base interactions energy: -24.880
where: short stacking energy: -24.880
Base-Backbone interact. energy: -0.000
local terms energy: -32.437810
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -7.929
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: 395
Temperature: 0.950000
Total energy: -50.747088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.747088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.747088 (E_RNA)
where:
Base-Base interactions energy: -21.811
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.000
local terms energy: -28.936371
where:
bonds (distance) C4'-P energy: -5.222
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -47.451169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.451169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.451169 (E_RNA)
where:
Base-Base interactions energy: -21.621
where: short stacking energy: -20.515
Base-Backbone interact. energy: -0.000
local terms energy: -25.829851
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -4.283
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: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -34.183842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.183842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.183842 (E_RNA)
where:
Base-Base interactions energy: -12.563
where: short stacking energy: -12.563
Base-Backbone interact. energy: -0.001
local terms energy: -21.619360
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -0.823
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: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -40.974387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.974387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.974387 (E_RNA)
where:
Base-Base interactions energy: -17.098
where: short stacking energy: -15.245
Base-Backbone interact. energy: -0.024
local terms energy: -23.852382
where:
bonds (distance) C4'-P energy: -2.584
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -40.934662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.934662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.934662 (E_RNA)
where:
Base-Base interactions energy: -14.837
where: short stacking energy: -14.837
Base-Backbone interact. energy: -0.005
local terms energy: -26.091977
where:
bonds (distance) C4'-P energy: -5.094
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.505
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: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -44.325908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.325908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.325908 (E_RNA)
where:
Base-Base interactions energy: -18.441
where: short stacking energy: -18.441
Base-Backbone interact. energy: -0.046
local terms energy: -25.838660
where:
bonds (distance) C4'-P energy: -4.184
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -3.993
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: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -43.499783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.499783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.499783 (E_RNA)
where:
Base-Base interactions energy: -16.198
where: short stacking energy: -16.198
Base-Backbone interact. energy: -0.000
local terms energy: -27.301475
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -4.659
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: 395
Temperature: 1.300000
Total energy: -36.217457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.217457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.217457 (E_RNA)
where:
Base-Base interactions energy: -9.118
where: short stacking energy: -8.912
Base-Backbone interact. energy: -0.100
local terms energy: -26.999695
where:
bonds (distance) C4'-P energy: -5.371
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -4.715
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -30.371515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.371515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.371515 (E_RNA)
where:
Base-Base interactions energy: -12.182
where: short stacking energy: -12.182
Base-Backbone interact. energy: -0.001
local terms energy: -18.187621
where:
bonds (distance) C4'-P energy: -0.593
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -4.686
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: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -57.374633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.374633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.374633 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.000
local terms energy: -29.371300
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -7.739
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: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -48.100710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.100710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.100710 (E_RNA)
where:
Base-Base interactions energy: -20.242
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.000
local terms energy: -27.858383
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -5.578
flat angles C4'-P-C4' energy: -6.575
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -40.935401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.935401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.935401 (E_RNA)
where:
Base-Base interactions energy: -15.307
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.009
local terms energy: -25.618850
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.764
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -47.961604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.961604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.961604 (E_RNA)
where:
Base-Base interactions energy: -17.415
where: short stacking energy: -17.415
Base-Backbone interact. energy: -0.000
local terms energy: -30.546481
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -40.549226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.549226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.549226 (E_RNA)
where:
Base-Base interactions energy: -14.941
where: short stacking energy: -14.941
Base-Backbone interact. energy: -0.005
local terms energy: -25.602850
where:
bonds (distance) C4'-P energy: -5.396
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -41.083311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.083311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.083311 (E_RNA)
where:
Base-Base interactions energy: -14.236
where: short stacking energy: -14.236
Base-Backbone interact. energy: -0.013
local terms energy: -26.834310
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -2.015
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: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -37.314978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.314978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.314978 (E_RNA)
where:
Base-Base interactions energy: -14.293
where: short stacking energy: -13.870
Base-Backbone interact. energy: -0.000
local terms energy: -23.022097
where:
bonds (distance) C4'-P energy: -2.975
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -32.810746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.810746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.810746 (E_RNA)
where:
Base-Base interactions energy: -11.849
where: short stacking energy: -10.709
Base-Backbone interact. energy: -0.015
local terms energy: -20.946940
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -3.857
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -34.689988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.689988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.689988 (E_RNA)
where:
Base-Base interactions energy: -10.068
where: short stacking energy: -9.398
Base-Backbone interact. energy: -0.000
local terms energy: -24.621796
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -3.084
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: 396
Temperature: 1.350000
Total energy: -33.217386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.217386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.217386 (E_RNA)
where:
Base-Base interactions energy: -11.273
where: short stacking energy: -9.391
Base-Backbone interact. energy: -0.016
local terms energy: -21.927744
where:
bonds (distance) C4'-P energy: -5.993
bonds (distance) P-C4' energy: -4.991
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -0.786
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: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -54.976264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.976264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.976264 (E_RNA)
where:
Base-Base interactions energy: -25.752
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.001
local terms energy: -29.223095
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -3.487
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -8.863
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: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -47.644844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.644844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.644844 (E_RNA)
where:
Base-Base interactions energy: -20.321
where: short stacking energy: -17.191
Base-Backbone interact. energy: -0.174
local terms energy: -27.149703
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -4.404
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: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -44.890354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.890354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.890354 (E_RNA)
where:
Base-Base interactions energy: -18.792
where: short stacking energy: -15.825
Base-Backbone interact. energy: -0.062
local terms energy: -26.036055
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -5.430
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -46.608914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.608914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.608914 (E_RNA)
where:
Base-Base interactions energy: -24.144
where: short stacking energy: -12.918
Base-Backbone interact. energy: -0.636
local terms energy: -21.829442
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.602
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -41.745820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.745820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.745820 (E_RNA)
where:
Base-Base interactions energy: -15.852
where: short stacking energy: -15.852
Base-Backbone interact. energy: -0.000
local terms energy: -25.893168
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -37.842458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.842458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.842458 (E_RNA)
where:
Base-Base interactions energy: -14.693
where: short stacking energy: -13.726
Base-Backbone interact. energy: -0.001
local terms energy: -23.149084
where:
bonds (distance) C4'-P energy: -1.865
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -5.259
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -38.477647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.477647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.477647 (E_RNA)
where:
Base-Base interactions energy: -19.331
where: short stacking energy: -15.293
Base-Backbone interact. energy: -0.029
local terms energy: -19.117950
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -5.255
flat angles C4'-P-C4' energy: 0.156
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -4.358
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: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -37.409869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.409869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.409869 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -15.993
Base-Backbone interact. energy: -0.032
local terms energy: -20.599035
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -0.645
flat angles C4'-P-C4' energy: -5.610
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -34.246284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.246284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.246284 (E_RNA)
where:
Base-Base interactions energy: -15.457
where: short stacking energy: -15.457
Base-Backbone interact. energy: -0.003
local terms energy: -18.786685
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -0.626
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -39.203580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.203580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.203580 (E_RNA)
where:
Base-Base interactions energy: -16.855
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.000
local terms energy: -22.348252
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -3.378
flat angles P-C4'-P energy: -3.305
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -51.958831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.958831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.958831 (E_RNA)
where:
Base-Base interactions energy: -23.118
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.000
local terms energy: -28.841222
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -40.728110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.728110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.728110 (E_RNA)
where:
Base-Base interactions energy: -16.699
where: short stacking energy: -16.699
Base-Backbone interact. energy: 1.195
local terms energy: -25.223978
where:
bonds (distance) C4'-P energy: -4.933
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -46.085125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.085125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.085125 (E_RNA)
where:
Base-Base interactions energy: -21.924
where: short stacking energy: -20.647
Base-Backbone interact. energy: -0.049
local terms energy: -24.112375
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -0.985
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: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -46.253704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.253704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.253704 (E_RNA)
where:
Base-Base interactions energy: -21.314
where: short stacking energy: -21.314
Base-Backbone interact. energy: -0.002
local terms energy: -24.937621
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -42.515214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.515214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.515214 (E_RNA)
where:
Base-Base interactions energy: -16.384
where: short stacking energy: -16.384
Base-Backbone interact. energy: -0.034
local terms energy: -26.096747
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -38.678014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.678014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.678014 (E_RNA)
where:
Base-Base interactions energy: -13.998
where: short stacking energy: -13.998
Base-Backbone interact. energy: -0.000
local terms energy: -24.679758
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.957
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -37.724814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.724814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.724814 (E_RNA)
where:
Base-Base interactions energy: -16.191
where: short stacking energy: -16.191
Base-Backbone interact. energy: -0.021
local terms energy: -21.512393
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.474
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -35.155578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.155578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.155578 (E_RNA)
where:
Base-Base interactions energy: -11.980
where: short stacking energy: -11.008
Base-Backbone interact. energy: -0.003
local terms energy: -23.172929
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -33.013302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.013302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.013302 (E_RNA)
where:
Base-Base interactions energy: -11.608
where: short stacking energy: -11.608
Base-Backbone interact. energy: -0.024
local terms energy: -21.381296
where:
bonds (distance) C4'-P energy: -5.040
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -4.802
flat angles P-C4'-P energy: -2.795
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -34.036436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.036436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.036436 (E_RNA)
where:
Base-Base interactions energy: -11.846
where: short stacking energy: -11.846
Base-Backbone interact. energy: -0.001
local terms energy: -22.190314
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -5.667
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -54.978339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.978339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.978339 (E_RNA)
where:
Base-Base interactions energy: -24.737
where: short stacking energy: -21.721
Base-Backbone interact. energy: -0.002
local terms energy: -30.239317
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -7.033
flat angles P-C4'-P energy: -2.530
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -43.197751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.197751 (E_RNA)
where:
Base-Base interactions energy: -18.050
where: short stacking energy: -18.050
Base-Backbone interact. energy: -0.061
local terms energy: -25.087420
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -45.189095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.189095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.189095 (E_RNA)
where:
Base-Base interactions energy: -18.942
where: short stacking energy: -16.250
Base-Backbone interact. energy: -0.001
local terms energy: -26.245642
where:
bonds (distance) C4'-P energy: -4.597
bonds (distance) P-C4' energy: -6.006
flat angles C4'-P-C4' energy: -7.135
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -4.387
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: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -45.583001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.583001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.583001 (E_RNA)
where:
Base-Base interactions energy: -20.307
where: short stacking energy: -20.307
Base-Backbone interact. energy: -0.002
local terms energy: -25.273860
where:
bonds (distance) C4'-P energy: -3.414
bonds (distance) P-C4' energy: -6.048
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -4.744
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: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -39.452212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.452212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.452212 (E_RNA)
where:
Base-Base interactions energy: -15.919
where: short stacking energy: -15.919
Base-Backbone interact. energy: -0.000
local terms energy: -23.532975
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -43.976707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.976707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.976707 (E_RNA)
where:
Base-Base interactions energy: -16.940
where: short stacking energy: -16.940
Base-Backbone interact. energy: -0.056
local terms energy: -26.980785
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -41.165668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.165668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.165668 (E_RNA)
where:
Base-Base interactions energy: -16.393
where: short stacking energy: -15.317
Base-Backbone interact. energy: -0.002
local terms energy: -24.770648
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -36.670745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.670745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.670745 (E_RNA)
where:
Base-Base interactions energy: -15.729
where: short stacking energy: -9.005
Base-Backbone interact. energy: -0.087
local terms energy: -20.855029
where:
bonds (distance) C4'-P energy: -2.412
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -32.006101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.006101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.006101 (E_RNA)
where:
Base-Base interactions energy: -7.484
where: short stacking energy: -7.397
Base-Backbone interact. energy: -0.028
local terms energy: -24.493509
where:
bonds (distance) C4'-P energy: -4.089
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.168
flat angles P-C4'-P energy: -4.484
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -33.436199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.436199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.436199 (E_RNA)
where:
Base-Base interactions energy: -10.389
where: short stacking energy: -10.389
Base-Backbone interact. energy: -0.003
local terms energy: -23.044752
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -2.525
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: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -55.081447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.081447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.081447 (E_RNA)
where:
Base-Base interactions energy: -27.859
where: short stacking energy: -27.859
Base-Backbone interact. energy: -0.000
local terms energy: -27.222152
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.164
flat angles C4'-P-C4' energy: -5.210
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -52.117033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.117033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.117033 (E_RNA)
where:
Base-Base interactions energy: -28.157
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.393
local terms energy: -23.567065
where:
bonds (distance) C4'-P energy: -4.607
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -3.010
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -51.920213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.920213 (E_RNA)
where:
Base-Base interactions energy: -22.648
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.000
local terms energy: -29.271902
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -6.078
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: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -43.107227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.107227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.107227 (E_RNA)
where:
Base-Base interactions energy: -17.587
where: short stacking energy: -14.394
Base-Backbone interact. energy: -0.006
local terms energy: -25.514368
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -5.248
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -39.557882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.557882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.557882 (E_RNA)
where:
Base-Base interactions energy: -17.099
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.001
local terms energy: -22.457900
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -44.767141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.767141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.767141 (E_RNA)
where:
Base-Base interactions energy: -16.850
where: short stacking energy: -16.850
Base-Backbone interact. energy: -0.000
local terms energy: -27.917310
where:
bonds (distance) C4'-P energy: -5.260
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -5.056
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -33.384471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.384471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.384471 (E_RNA)
where:
Base-Base interactions energy: -13.981
where: short stacking energy: -8.372
Base-Backbone interact. energy: -0.086
local terms energy: -19.317651
where:
bonds (distance) C4'-P energy: -4.345
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -34.028260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.028260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.028260 (E_RNA)
where:
Base-Base interactions energy: -14.753
where: short stacking energy: -13.433
Base-Backbone interact. energy: -0.002
local terms energy: -19.272907
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -36.301314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.301314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.301314 (E_RNA)
where:
Base-Base interactions energy: -11.853
where: short stacking energy: -11.853
Base-Backbone interact. energy: -0.000
local terms energy: -24.448276
where:
bonds (distance) C4'-P energy: -3.136
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -4.815
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -34.570787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.570787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.570787 (E_RNA)
where:
Base-Base interactions energy: -15.956
where: short stacking energy: -14.975
Base-Backbone interact. energy: -0.102
local terms energy: -18.511977
where:
bonds (distance) C4'-P energy: -3.827
bonds (distance) P-C4' energy: -4.476
flat angles C4'-P-C4' energy: -3.660
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -55.480441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.480441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.480441 (E_RNA)
where:
Base-Base interactions energy: -24.529
where: short stacking energy: -24.529
Base-Backbone interact. energy: -0.096
local terms energy: -30.855589
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -6.760
flat angles P-C4'-P energy: -4.676
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: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -54.410125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.410125 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.013
local terms energy: -29.968994
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -4.098
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: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -47.618866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.618866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.618866 (E_RNA)
where:
Base-Base interactions energy: -20.786
where: short stacking energy: -17.211
Base-Backbone interact. energy: -0.070
local terms energy: -26.762488
where:
bonds (distance) C4'-P energy: -4.217
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -51.373023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.373023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.373023 (E_RNA)
where:
Base-Base interactions energy: -20.944
where: short stacking energy: -20.944
Base-Backbone interact. energy: -0.000
local terms energy: -30.428856
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -42.486762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.486762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.486762 (E_RNA)
where:
Base-Base interactions energy: -15.519
where: short stacking energy: -15.519
Base-Backbone interact. energy: -0.001
local terms energy: -26.966510
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -37.433689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.433689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.433689 (E_RNA)
where:
Base-Base interactions energy: -13.480
where: short stacking energy: -12.942
Base-Backbone interact. energy: -0.013
local terms energy: -23.940949
where:
bonds (distance) C4'-P energy: -4.093
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -5.645
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -34.927647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.927647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.927647 (E_RNA)
where:
Base-Base interactions energy: -11.747
where: short stacking energy: -11.747
Base-Backbone interact. energy: -0.089
local terms energy: -23.091320
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -4.457
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -41.046852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.046852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.046852 (E_RNA)
where:
Base-Base interactions energy: -18.760
where: short stacking energy: -15.035
Base-Backbone interact. energy: 0.145
local terms energy: -22.431803
where:
bonds (distance) C4'-P energy: -4.742
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -2.759
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: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -32.487469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.487469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.487469 (E_RNA)
where:
Base-Base interactions energy: -5.053
where: short stacking energy: -5.053
Base-Backbone interact. energy: -0.021
local terms energy: -27.413606
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -31.614527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.614527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.614527 (E_RNA)
where:
Base-Base interactions energy: -12.042
where: short stacking energy: -11.372
Base-Backbone interact. energy: -0.040
local terms energy: -19.532580
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -3.101
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: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -59.716805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.716805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.716805 (E_RNA)
where:
Base-Base interactions energy: -28.763
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.000
local terms energy: -30.953585
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -8.523
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -47.837521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.837521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.837521 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.000
local terms energy: -29.979076
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.772
flat angles P-C4'-P energy: -4.301
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -47.930679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.930679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.930679 (E_RNA)
where:
Base-Base interactions energy: -18.576
where: short stacking energy: -18.576
Base-Backbone interact. energy: -0.003
local terms energy: -29.351782
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -49.795474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.795474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.795474 (E_RNA)
where:
Base-Base interactions energy: -18.691
where: short stacking energy: -18.691
Base-Backbone interact. energy: -0.000
local terms energy: -31.104685
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.011
flat angles P-C4'-P energy: -3.535
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -46.824234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.824234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.824234 (E_RNA)
where:
Base-Base interactions energy: -19.058
where: short stacking energy: -19.058
Base-Backbone interact. energy: -0.001
local terms energy: -27.765162
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -6.622
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: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -35.812382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.812382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.812382 (E_RNA)
where:
Base-Base interactions energy: -12.523
where: short stacking energy: -11.390
Base-Backbone interact. energy: -0.000
local terms energy: -23.289496
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -4.400
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -36.689032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.689032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.689032 (E_RNA)
where:
Base-Base interactions energy: -11.668
where: short stacking energy: -11.668
Base-Backbone interact. energy: -0.207
local terms energy: -24.814006
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -3.954
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: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -38.613051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.613051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.613051 (E_RNA)
where:
Base-Base interactions energy: -12.526
where: short stacking energy: -12.526
Base-Backbone interact. energy: -0.000
local terms energy: -26.087070
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -36.797609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.797609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.797609 (E_RNA)
where:
Base-Base interactions energy: -15.940
where: short stacking energy: -15.169
Base-Backbone interact. energy: -0.002
local terms energy: -20.855844
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -5.976
flat angles C4'-P-C4' energy: -5.465
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -35.932885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.932885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.932885 (E_RNA)
where:
Base-Base interactions energy: -14.471
where: short stacking energy: -14.471
Base-Backbone interact. energy: -0.001
local terms energy: -21.461278
where:
bonds (distance) C4'-P energy: -4.759
bonds (distance) P-C4' energy: -3.333
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -2.311
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: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -54.611823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.611823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.611823 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -25.570
Base-Backbone interact. energy: -0.000
local terms energy: -29.041570
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -51.589978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.589978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.589978 (E_RNA)
where:
Base-Base interactions energy: -24.717
where: short stacking energy: -20.560
Base-Backbone interact. energy: -0.075
local terms energy: -26.798018
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -46.147382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.147382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.147382 (E_RNA)
where:
Base-Base interactions energy: -20.292
where: short stacking energy: -20.292
Base-Backbone interact. energy: -0.027
local terms energy: -25.827986
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -45.583632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.583632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.583632 (E_RNA)
where:
Base-Base interactions energy: -16.739
where: short stacking energy: -16.739
Base-Backbone interact. energy: -0.000
local terms energy: -28.844094
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -38.702562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.702562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.702562 (E_RNA)
where:
Base-Base interactions energy: -15.733
where: short stacking energy: -14.581
Base-Backbone interact. energy: -0.076
local terms energy: -22.894229
where:
bonds (distance) C4'-P energy: -5.240
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -3.047
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: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -40.336594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.336594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.336594 (E_RNA)
where:
Base-Base interactions energy: -16.313
where: short stacking energy: -16.313
Base-Backbone interact. energy: -0.000
local terms energy: -24.022905
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.456
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: -4.527
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: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -39.649479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.649479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.649479 (E_RNA)
where:
Base-Base interactions energy: -15.816
where: short stacking energy: -15.816
Base-Backbone interact. energy: -0.000
local terms energy: -23.833122
where:
bonds (distance) C4'-P energy: -4.506
bonds (distance) P-C4' energy: -6.318
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -36.654400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.654400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.654400 (E_RNA)
where:
Base-Base interactions energy: -12.042
where: short stacking energy: -8.794
Base-Backbone interact. energy: -0.046
local terms energy: -24.566305
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -2.126
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -36.911366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.911366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.911366 (E_RNA)
where:
Base-Base interactions energy: -14.586
where: short stacking energy: -14.586
Base-Backbone interact. energy: -0.002
local terms energy: -22.323132
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -34.662053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.662053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.662053 (E_RNA)
where:
Base-Base interactions energy: -13.291
where: short stacking energy: -13.291
Base-Backbone interact. energy: -0.011
local terms energy: -21.359998
where:
bonds (distance) C4'-P energy: -5.032
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -49.031625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.031625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.031625 (E_RNA)
where:
Base-Base interactions energy: -20.352
where: short stacking energy: -20.352
Base-Backbone interact. energy: -0.053
local terms energy: -28.626014
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.117
flat angles P-C4'-P energy: -6.014
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: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -46.002188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.002188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.002188 (E_RNA)
where:
Base-Base interactions energy: -19.965
where: short stacking energy: -19.965
Base-Backbone interact. energy: -0.050
local terms energy: -25.986877
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -48.403843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.403843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.403843 (E_RNA)
where:
Base-Base interactions energy: -21.902
where: short stacking energy: -21.902
Base-Backbone interact. energy: -0.002
local terms energy: -26.499827
where:
bonds (distance) C4'-P energy: -3.240
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -43.453743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.453743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.453743 (E_RNA)
where:
Base-Base interactions energy: -15.722
where: short stacking energy: -15.722
Base-Backbone interact. energy: -0.073
local terms energy: -27.658442
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -5.524
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: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -40.806781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.806781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.806781 (E_RNA)
where:
Base-Base interactions energy: -15.145
where: short stacking energy: -14.656
Base-Backbone interact. energy: -0.088
local terms energy: -25.573723
where:
bonds (distance) C4'-P energy: -4.271
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -37.627880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.627880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.627880 (E_RNA)
where:
Base-Base interactions energy: -10.745
where: short stacking energy: -10.745
Base-Backbone interact. energy: -0.000
local terms energy: -26.882823
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -5.192
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -36.844416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.844416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.844416 (E_RNA)
where:
Base-Base interactions energy: -11.219
where: short stacking energy: -11.219
Base-Backbone interact. energy: -0.000
local terms energy: -25.625292
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -5.867
flat angles C4'-P-C4' energy: -2.744
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -31.154032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.154032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.154032 (E_RNA)
where:
Base-Base interactions energy: -9.680
where: short stacking energy: -9.680
Base-Backbone interact. energy: -0.034
local terms energy: -21.440494
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -4.734
flat angles P-C4'-P energy: -2.728
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -37.123425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.123425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.123425 (E_RNA)
where:
Base-Base interactions energy: -12.064
where: short stacking energy: -12.064
Base-Backbone interact. energy: -0.148
local terms energy: -24.911391
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.134
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -36.194510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.194510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.194510 (E_RNA)
where:
Base-Base interactions energy: -12.920
where: short stacking energy: -12.920
Base-Backbone interact. energy: -0.095
local terms energy: -23.179842
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -52.267469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.267469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.267469 (E_RNA)
where:
Base-Base interactions energy: -24.240
where: short stacking energy: -24.240
Base-Backbone interact. energy: -0.000
local terms energy: -28.027725
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -2.810
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: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -44.955180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.955180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.955180 (E_RNA)
where:
Base-Base interactions energy: -18.521
where: short stacking energy: -18.521
Base-Backbone interact. energy: -0.002
local terms energy: -26.431674
where:
bonds (distance) C4'-P energy: -5.682
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -53.647633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.647633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.647633 (E_RNA)
where:
Base-Base interactions energy: -25.820
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.000
local terms energy: -27.827592
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -3.131
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -39.721749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.721749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.721749 (E_RNA)
where:
Base-Base interactions energy: -11.868
where: short stacking energy: -11.868
Base-Backbone interact. energy: -0.031
local terms energy: -27.823481
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -44.834014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.834014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.834014 (E_RNA)
where:
Base-Base interactions energy: -19.323
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.000
local terms energy: -25.510846
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -5.060
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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -36.227708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.227708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.227708 (E_RNA)
where:
Base-Base interactions energy: -14.816
where: short stacking energy: -12.911
Base-Backbone interact. energy: -0.094
local terms energy: -21.318320
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -4.527
flat angles P-C4'-P energy: -0.543
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -32.985197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.985197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.985197 (E_RNA)
where:
Base-Base interactions energy: -14.188
where: short stacking energy: -12.784
Base-Backbone interact. energy: -0.330
local terms energy: -18.466548
where:
bonds (distance) C4'-P energy: -3.149
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -3.343
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -32.957658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.957658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.957658 (E_RNA)
where:
Base-Base interactions energy: -8.831
where: short stacking energy: -6.727
Base-Backbone interact. energy: -0.183
local terms energy: -23.943229
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.296
flat angles P-C4'-P energy: -4.954
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: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -32.376953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.376953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.376953 (E_RNA)
where:
Base-Base interactions energy: -8.771
where: short stacking energy: -7.824
Base-Backbone interact. energy: -0.103
local terms energy: -23.503070
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -3.635
flat angles P-C4'-P energy: -4.674
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: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -38.199737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.199737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.199737 (E_RNA)
where:
Base-Base interactions energy: -13.862
where: short stacking energy: -12.544
Base-Backbone interact. energy: -0.197
local terms energy: -24.140270
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -51.166209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.166209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.166209 (E_RNA)
where:
Base-Base interactions energy: -22.476
where: short stacking energy: -22.476
Base-Backbone interact. energy: -0.002
local terms energy: -28.688256
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -52.307615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.307615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.307615 (E_RNA)
where:
Base-Base interactions energy: -25.417
where: short stacking energy: -24.079
Base-Backbone interact. energy: -0.000
local terms energy: -26.890240
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -1.523
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -49.120808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.120808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.120808 (E_RNA)
where:
Base-Base interactions energy: -19.068
where: short stacking energy: -19.068
Base-Backbone interact. energy: -0.002
local terms energy: -30.050886
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -5.621
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: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -49.705718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.705718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.705718 (E_RNA)
where:
Base-Base interactions energy: -22.134
where: short stacking energy: -22.134
Base-Backbone interact. energy: -0.000
local terms energy: -27.570856
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -43.846372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.846372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.846372 (E_RNA)
where:
Base-Base interactions energy: -18.509
where: short stacking energy: -18.509
Base-Backbone interact. energy: -0.006
local terms energy: -25.331111
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -5.191
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -4.128
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: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -33.364933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.364933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.364933 (E_RNA)
where:
Base-Base interactions energy: -11.432
where: short stacking energy: -11.275
Base-Backbone interact. energy: -0.006
local terms energy: -21.926295
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -39.934339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.934339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.934339 (E_RNA)
where:
Base-Base interactions energy: -16.318
where: short stacking energy: -16.318
Base-Backbone interact. energy: -0.002
local terms energy: -23.615168
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -2.909
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: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -34.720063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.720063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.720063 (E_RNA)
where:
Base-Base interactions energy: -10.733
where: short stacking energy: -10.733
Base-Backbone interact. energy: -0.600
local terms energy: -23.387198
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.559
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -2.804
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: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -36.793107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.793107 (E_RNA)
where:
Base-Base interactions energy: -11.725
where: short stacking energy: -11.725
Base-Backbone interact. energy: -0.000
local terms energy: -25.067497
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -34.566261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.566261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.566261 (E_RNA)
where:
Base-Base interactions energy: -9.068
where: short stacking energy: -9.068
Base-Backbone interact. energy: -0.005
local terms energy: -25.493028
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -5.661
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -57.652530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.652530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.652530 (E_RNA)
where:
Base-Base interactions energy: -25.388
where: short stacking energy: -25.388
Base-Backbone interact. energy: -0.000
local terms energy: -32.264533
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -6.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -52.228624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.228624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.228624 (E_RNA)
where:
Base-Base interactions energy: -21.324
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.002
local terms energy: -30.902344
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -46.492940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.492940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.492940 (E_RNA)
where:
Base-Base interactions energy: -21.485
where: short stacking energy: -21.485
Base-Backbone interact. energy: -0.000
local terms energy: -25.007717
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -37.487167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.487167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.487167 (E_RNA)
where:
Base-Base interactions energy: -12.997
where: short stacking energy: -12.997
Base-Backbone interact. energy: -0.028
local terms energy: -24.462832
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -5.072
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -1.676
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: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -44.631763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.631763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.631763 (E_RNA)
where:
Base-Base interactions energy: -19.326
where: short stacking energy: -16.514
Base-Backbone interact. energy: -0.070
local terms energy: -25.236554
where:
bonds (distance) C4'-P energy: -2.895
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -5.595
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -38.294818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.294818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.294818 (E_RNA)
where:
Base-Base interactions energy: -11.645
where: short stacking energy: -11.645
Base-Backbone interact. energy: -0.043
local terms energy: -26.606875
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -43.459088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.459088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.459088 (E_RNA)
where:
Base-Base interactions energy: -17.091
where: short stacking energy: -13.611
Base-Backbone interact. energy: -0.012
local terms energy: -26.355436
where:
bonds (distance) C4'-P energy: -4.436
bonds (distance) P-C4' energy: -7.252
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -32.804182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.804182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.804182 (E_RNA)
where:
Base-Base interactions energy: -9.920
where: short stacking energy: -9.920
Base-Backbone interact. energy: -0.015
local terms energy: -22.868666
where:
bonds (distance) C4'-P energy: -4.722
bonds (distance) P-C4' energy: -5.737
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -38.070366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.070366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.070366 (E_RNA)
where:
Base-Base interactions energy: -13.390
where: short stacking energy: -13.390
Base-Backbone interact. energy: -0.000
local terms energy: -24.680650
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -4.358
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -3.696
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -38.400868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.400868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.400868 (E_RNA)
where:
Base-Base interactions energy: -16.343
where: short stacking energy: -16.343
Base-Backbone interact. energy: -0.001
local terms energy: -22.056405
where:
bonds (distance) C4'-P energy: -5.661
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -2.239
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -59.582348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.582348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.582348 (E_RNA)
where:
Base-Base interactions energy: -29.549
where: short stacking energy: -27.699
Base-Backbone interact. energy: -0.000
local terms energy: -30.033700
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -51.525413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.525413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.525413 (E_RNA)
where:
Base-Base interactions energy: -24.347
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.010
local terms energy: -27.167587
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -5.261
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -41.668692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.668692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.668692 (E_RNA)
where:
Base-Base interactions energy: -15.631
where: short stacking energy: -15.631
Base-Backbone interact. energy: -0.051
local terms energy: -25.986188
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -40.939803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.939803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.939803 (E_RNA)
where:
Base-Base interactions energy: -12.844
where: short stacking energy: -12.400
Base-Backbone interact. energy: -0.793
local terms energy: -27.302674
where:
bonds (distance) C4'-P energy: -4.658
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.268
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -35.616628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.616628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.616628 (E_RNA)
where:
Base-Base interactions energy: -10.026
where: short stacking energy: -10.026
Base-Backbone interact. energy: -0.097
local terms energy: -25.493443
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -44.430554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.430554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.430554 (E_RNA)
where:
Base-Base interactions energy: -16.724
where: short stacking energy: -16.439
Base-Backbone interact. energy: -0.023
local terms energy: -27.683626
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -38.916843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.916843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.916843 (E_RNA)
where:
Base-Base interactions energy: -14.641
where: short stacking energy: -14.641
Base-Backbone interact. energy: -0.002
local terms energy: -24.274103
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -34.829221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.829221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.829221 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -14.517
Base-Backbone interact. energy: -0.076
local terms energy: -20.235577
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -4.829
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -36.618117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.618117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.618117 (E_RNA)
where:
Base-Base interactions energy: -12.077
where: short stacking energy: -12.077
Base-Backbone interact. energy: -0.066
local terms energy: -24.474563
where:
bonds (distance) C4'-P energy: -4.544
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.605
flat angles P-C4'-P energy: -1.484
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -37.912909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.912909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.912909 (E_RNA)
where:
Base-Base interactions energy: -13.695
where: short stacking energy: -12.958
Base-Backbone interact. energy: -0.000
local terms energy: -24.217204
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -4.149
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -5.055
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -57.540789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.540789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.540789 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -27.260
Base-Backbone interact. energy: -0.000
local terms energy: -30.280657
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -51.863512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.863512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.863512 (E_RNA)
where:
Base-Base interactions energy: -26.047
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.002
local terms energy: -25.815200
where:
bonds (distance) C4'-P energy: -4.626
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -2.922
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -8.373
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: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -43.060366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.060366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.060366 (E_RNA)
where:
Base-Base interactions energy: -17.574
where: short stacking energy: -11.801
Base-Backbone interact. energy: -0.083
local terms energy: -25.403095
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -39.470591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.470591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.470591 (E_RNA)
where:
Base-Base interactions energy: -13.229
where: short stacking energy: -13.229
Base-Backbone interact. energy: -0.126
local terms energy: -26.115859
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -43.438779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.438779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.438779 (E_RNA)
where:
Base-Base interactions energy: -15.291
where: short stacking energy: -15.291
Base-Backbone interact. energy: -0.005
local terms energy: -28.143238
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -4.194
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -41.572250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.572250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.572250 (E_RNA)
where:
Base-Base interactions energy: -13.134
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.087
local terms energy: -28.351328
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.173
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -4.032
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: 409
Temperature: 1.200000
Total energy: -36.280142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.280142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.280142 (E_RNA)
where:
Base-Base interactions energy: -14.138
where: short stacking energy: -14.138
Base-Backbone interact. energy: -0.000
local terms energy: -22.142298
where:
bonds (distance) C4'-P energy: -2.875
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -36.146585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.146585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.146585 (E_RNA)
where:
Base-Base interactions energy: -11.399
where: short stacking energy: -11.399
Base-Backbone interact. energy: -0.000
local terms energy: -24.746972
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -32.351300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.351300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.351300 (E_RNA)
where:
Base-Base interactions energy: -9.716
where: short stacking energy: -9.689
Base-Backbone interact. energy: -0.031
local terms energy: -22.604691
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.322
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: 1.278
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -34.388183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.388183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.388183 (E_RNA)
where:
Base-Base interactions energy: -12.847
where: short stacking energy: -8.574
Base-Backbone interact. energy: -0.183
local terms energy: -21.358254
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.546
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -52.441306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.441306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.441306 (E_RNA)
where:
Base-Base interactions energy: -20.719
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.000
local terms energy: -31.721993
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -50.026358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.026358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.026358 (E_RNA)
where:
Base-Base interactions energy: -19.124
where: short stacking energy: -19.124
Base-Backbone interact. energy: -0.000
local terms energy: -30.902751
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -7.038
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: 410
Temperature: 1.000000
Total energy: -48.125816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.125816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.125816 (E_RNA)
where:
Base-Base interactions energy: -19.147
where: short stacking energy: -18.682
Base-Backbone interact. energy: -0.001
local terms energy: -28.977509
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.261
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -50.967674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.967674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.967674 (E_RNA)
where:
Base-Base interactions energy: -20.820
where: short stacking energy: -19.638
Base-Backbone interact. energy: -0.000
local terms energy: -30.147482
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -5.439
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -40.290520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.290520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.290520 (E_RNA)
where:
Base-Base interactions energy: -14.940
where: short stacking energy: -14.940
Base-Backbone interact. energy: -0.000
local terms energy: -25.350933
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -45.112688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.112688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.112688 (E_RNA)
where:
Base-Base interactions energy: -19.170
where: short stacking energy: -17.218
Base-Backbone interact. energy: -0.007
local terms energy: -25.935983
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -7.520
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -2.647
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -35.252448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.252448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.252448 (E_RNA)
where:
Base-Base interactions energy: -10.369
where: short stacking energy: -10.369
Base-Backbone interact. energy: -0.060
local terms energy: -24.823124
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -7.255
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -31.871252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.871252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.871252 (E_RNA)
where:
Base-Base interactions energy: -11.053
where: short stacking energy: -11.053
Base-Backbone interact. energy: -0.064
local terms energy: -20.754636
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: 1.873
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: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -33.370448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.370448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.370448 (E_RNA)
where:
Base-Base interactions energy: -12.412
where: short stacking energy: -12.286
Base-Backbone interact. energy: -0.022
local terms energy: -20.937091
where:
bonds (distance) C4'-P energy: -5.087
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -32.212808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.212808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.212808 (E_RNA)
where:
Base-Base interactions energy: -11.756
where: short stacking energy: -9.025
Base-Backbone interact. energy: -0.018
local terms energy: -20.438590
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -5.462
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -1.929
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -49.549142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.549142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.549142 (E_RNA)
where:
Base-Base interactions energy: -20.210
where: short stacking energy: -20.210
Base-Backbone interact. energy: -0.005
local terms energy: -29.333359
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -5.748
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: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -47.483726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.483726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.483726 (E_RNA)
where:
Base-Base interactions energy: -17.732
where: short stacking energy: -17.732
Base-Backbone interact. energy: -0.000
local terms energy: -29.752098
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -45.810915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.810915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.810915 (E_RNA)
where:
Base-Base interactions energy: -17.681
where: short stacking energy: -17.217
Base-Backbone interact. energy: -0.178
local terms energy: -27.951662
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -5.701
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -43.979975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.979975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.979975 (E_RNA)
where:
Base-Base interactions energy: -20.842
where: short stacking energy: -20.842
Base-Backbone interact. energy: -0.067
local terms energy: -23.070967
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -47.404411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.404411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.404411 (E_RNA)
where:
Base-Base interactions energy: -19.025
where: short stacking energy: -19.025
Base-Backbone interact. energy: -0.000
local terms energy: -28.379311
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -36.222536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.222536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.222536 (E_RNA)
where:
Base-Base interactions energy: -13.109
where: short stacking energy: -13.109
Base-Backbone interact. energy: 0.494
local terms energy: -23.608406
where:
bonds (distance) C4'-P energy: -4.377
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.368
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -2.515
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: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -41.508150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.508150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.508150 (E_RNA)
where:
Base-Base interactions energy: -13.919
where: short stacking energy: -13.919
Base-Backbone interact. energy: -0.116
local terms energy: -27.473210
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -7.506
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -4.027
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: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -35.968557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.968557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.968557 (E_RNA)
where:
Base-Base interactions energy: -15.877
where: short stacking energy: -15.877
Base-Backbone interact. energy: -0.020
local terms energy: -20.071462
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -4.263
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -33.945931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.945931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.945931 (E_RNA)
where:
Base-Base interactions energy: -11.305
where: short stacking energy: -11.305
Base-Backbone interact. energy: -0.000
local terms energy: -22.640703
where:
bonds (distance) C4'-P energy: -3.124
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.325
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -4.995
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: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -34.516495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.516495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.516495 (E_RNA)
where:
Base-Base interactions energy: -11.124
where: short stacking energy: -7.554
Base-Backbone interact. energy: -0.079
local terms energy: -23.313264
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -2.584
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: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -50.757155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.757155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.757155 (E_RNA)
where:
Base-Base interactions energy: -20.612
where: short stacking energy: -20.612
Base-Backbone interact. energy: -0.000
local terms energy: -30.144805
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -46.522609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.522609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.522609 (E_RNA)
where:
Base-Base interactions energy: -21.308
where: short stacking energy: -21.308
Base-Backbone interact. energy: -0.000
local terms energy: -25.214831
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -4.948
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -47.790251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.790251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.790251 (E_RNA)
where:
Base-Base interactions energy: -22.662
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.018
local terms energy: -25.110391
where:
bonds (distance) C4'-P energy: -3.897
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -4.126
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: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -42.518097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.518097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.518097 (E_RNA)
where:
Base-Base interactions energy: -17.360
where: short stacking energy: -14.597
Base-Backbone interact. energy: -0.005
local terms energy: -25.153423
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -45.809461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.809461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.809461 (E_RNA)
where:
Base-Base interactions energy: -19.903
where: short stacking energy: -18.754
Base-Backbone interact. energy: -0.000
local terms energy: -25.906343
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -5.789
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -45.617094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.617094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.617094 (E_RNA)
where:
Base-Base interactions energy: -17.363
where: short stacking energy: -17.363
Base-Backbone interact. energy: -0.000
local terms energy: -28.254520
where:
bonds (distance) C4'-P energy: -5.008
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -40.884195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.884195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.884195 (E_RNA)
where:
Base-Base interactions energy: -19.315
where: short stacking energy: -17.439
Base-Backbone interact. energy: -0.037
local terms energy: -21.531740
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -4.700
flat angles C4'-P-C4' energy: -5.236
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -4.305
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: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -41.849478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.849478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.849478 (E_RNA)
where:
Base-Base interactions energy: -20.480
where: short stacking energy: -18.550
Base-Backbone interact. energy: -0.129
local terms energy: -21.240515
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -0.090
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -38.151009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.151009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.151009 (E_RNA)
where:
Base-Base interactions energy: -15.188
where: short stacking energy: -15.188
Base-Backbone interact. energy: -0.020
local terms energy: -22.942736
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -5.979
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -0.308
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: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -34.589040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.589040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.589040 (E_RNA)
where:
Base-Base interactions energy: -12.312
where: short stacking energy: -10.083
Base-Backbone interact. energy: -0.064
local terms energy: -22.213011
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -5.044
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -45.785352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.785352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.785352 (E_RNA)
where:
Base-Base interactions energy: -18.018
where: short stacking energy: -18.018
Base-Backbone interact. energy: -0.000
local terms energy: -27.767622
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -5.536
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -4.082
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: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -52.273897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.273897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.273897 (E_RNA)
where:
Base-Base interactions energy: -23.335
where: short stacking energy: -20.433
Base-Backbone interact. energy: -0.001
local terms energy: -28.937540
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -6.877
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -48.155559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.155559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.155559 (E_RNA)
where:
Base-Base interactions energy: -23.471
where: short stacking energy: -22.498
Base-Backbone interact. energy: -0.001
local terms energy: -24.683723
where:
bonds (distance) C4'-P energy: -4.643
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.154
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -39.086525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.086525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.086525 (E_RNA)
where:
Base-Base interactions energy: -16.407
where: short stacking energy: -16.407
Base-Backbone interact. energy: -0.051
local terms energy: -22.628986
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -6.053
flat angles P-C4'-P energy: -2.327
tors. eta vs tors. theta energy: -3.186
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: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -41.739966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.739966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.739966 (E_RNA)
where:
Base-Base interactions energy: -15.334
where: short stacking energy: -15.334
Base-Backbone interact. energy: -0.002
local terms energy: -26.404561
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.557
flat angles P-C4'-P energy: -2.428
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: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -36.618872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.618872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.618872 (E_RNA)
where:
Base-Base interactions energy: -14.884
where: short stacking energy: -8.296
Base-Backbone interact. energy: 0.519
local terms energy: -22.254476
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: 0.300
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -32.771947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.771947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.771947 (E_RNA)
where:
Base-Base interactions energy: -11.756
where: short stacking energy: -10.126
Base-Backbone interact. energy: -0.074
local terms energy: -20.942304
where:
bonds (distance) C4'-P energy: -4.420
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -4.773
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -40.079673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.079673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.079673 (E_RNA)
where:
Base-Base interactions energy: -15.269
where: short stacking energy: -15.269
Base-Backbone interact. energy: -0.001
local terms energy: -24.809451
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -45.672041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.672041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.672041 (E_RNA)
where:
Base-Base interactions energy: -20.347
where: short stacking energy: -20.347
Base-Backbone interact. energy: -0.001
local terms energy: -25.324731
where:
bonds (distance) C4'-P energy: -4.009
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.938
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -44.613468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.613468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.613468 (E_RNA)
where:
Base-Base interactions energy: -16.033
where: short stacking energy: -15.056
Base-Backbone interact. energy: -0.000
local terms energy: -28.580137
where:
bonds (distance) C4'-P energy: -3.293
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -7.719
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: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -51.956799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.956799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.956799 (E_RNA)
where:
Base-Base interactions energy: -21.646
where: short stacking energy: -21.646
Base-Backbone interact. energy: -0.051
local terms energy: -30.260207
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -4.726
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -47.766525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.766525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.766525 (E_RNA)
where:
Base-Base interactions energy: -17.292
where: short stacking energy: -17.292
Base-Backbone interact. energy: -0.005
local terms energy: -30.469019
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -46.528408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.528408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.528408 (E_RNA)
where:
Base-Base interactions energy: -17.220
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.000
local terms energy: -29.307941
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -5.583
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: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -49.588401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.588401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.588401 (E_RNA)
where:
Base-Base interactions energy: -22.136
where: short stacking energy: -18.757
Base-Backbone interact. energy: -0.001
local terms energy: -27.451290
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -4.191
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: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -45.898671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.898671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.898671 (E_RNA)
where:
Base-Base interactions energy: -18.016
where: short stacking energy: -18.016
Base-Backbone interact. energy: -0.000
local terms energy: -27.882237
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: -3.762
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: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -48.030875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.030875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.030875 (E_RNA)
where:
Base-Base interactions energy: -17.622
where: short stacking energy: -17.622
Base-Backbone interact. energy: -0.000
local terms energy: -30.408480
where:
bonds (distance) C4'-P energy: -3.409
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -46.141940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.141940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.141940 (E_RNA)
where:
Base-Base interactions energy: -18.491
where: short stacking energy: -18.491
Base-Backbone interact. energy: -0.001
local terms energy: -27.650460
where:
bonds (distance) C4'-P energy: -4.618
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -35.579888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.579888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.579888 (E_RNA)
where:
Base-Base interactions energy: -12.781
where: short stacking energy: -11.992
Base-Backbone interact. energy: -0.007
local terms energy: -22.791085
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -4.680
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -2.424
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: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -34.847923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.847923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.847923 (E_RNA)
where:
Base-Base interactions energy: -11.268
where: short stacking energy: -11.268
Base-Backbone interact. energy: 0.282
local terms energy: -23.861703
where:
bonds (distance) C4'-P energy: -4.635
bonds (distance) P-C4' energy: -5.798
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -34.879126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.879126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.879126 (E_RNA)
where:
Base-Base interactions energy: -13.738
where: short stacking energy: -13.738
Base-Backbone interact. energy: -0.003
local terms energy: -21.137955
where:
bonds (distance) C4'-P energy: -3.844
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -4.116
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: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -48.675979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.675979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.675979 (E_RNA)
where:
Base-Base interactions energy: -16.576
where: short stacking energy: -15.712
Base-Backbone interact. energy: -0.000
local terms energy: -32.100145
where:
bonds (distance) C4'-P energy: -5.148
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -52.577794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.577794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.577794 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -18.460
Base-Backbone interact. energy: -0.129
local terms energy: -29.490732
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -54.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.077185 (E_RNA)
where:
Base-Base interactions energy: -23.040
where: short stacking energy: -23.040
Base-Backbone interact. energy: -0.000
local terms energy: -31.036896
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -1.564
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: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -42.330192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.330192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.330192 (E_RNA)
where:
Base-Base interactions energy: -21.607
where: short stacking energy: -17.027
Base-Backbone interact. energy: -0.054
local terms energy: -20.669207
where:
bonds (distance) C4'-P energy: -4.491
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -3.439
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -39.519562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.519562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.519562 (E_RNA)
where:
Base-Base interactions energy: -12.349
where: short stacking energy: -12.349
Base-Backbone interact. energy: -0.064
local terms energy: -27.106643
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -37.245259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.245259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.245259 (E_RNA)
where:
Base-Base interactions energy: -12.783
where: short stacking energy: -11.955
Base-Backbone interact. energy: -0.094
local terms energy: -24.367487
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -40.177057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.177057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.177057 (E_RNA)
where:
Base-Base interactions energy: -12.833
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.000
local terms energy: -27.344125
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -37.227901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.227901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.227901 (E_RNA)
where:
Base-Base interactions energy: -14.707
where: short stacking energy: -14.707
Base-Backbone interact. energy: -0.037
local terms energy: -22.484688
where:
bonds (distance) C4'-P energy: -5.111
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -2.253
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -31.643369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.643369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.643369 (E_RNA)
where:
Base-Base interactions energy: -6.801
where: short stacking energy: -6.801
Base-Backbone interact. energy: 0.032
local terms energy: -24.873899
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: 0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -36.878422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.878422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.878422 (E_RNA)
where:
Base-Base interactions energy: -14.316
where: short stacking energy: -12.160
Base-Backbone interact. energy: -0.096
local terms energy: -22.466256
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -3.686
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -52.706176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.706176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.706176 (E_RNA)
where:
Base-Base interactions energy: -22.963
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.000
local terms energy: -29.742718
where:
bonds (distance) C4'-P energy: -4.511
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -44.383012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.383012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.383012 (E_RNA)
where:
Base-Base interactions energy: -16.785
where: short stacking energy: -16.785
Base-Backbone interact. energy: 0.075
local terms energy: -27.673152
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -48.308635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.308635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.308635 (E_RNA)
where:
Base-Base interactions energy: -21.911
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.000
local terms energy: -26.397823
where:
bonds (distance) C4'-P energy: -4.622
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -57.226920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.226920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.226920 (E_RNA)
where:
Base-Base interactions energy: -23.926
where: short stacking energy: -23.926
Base-Backbone interact. energy: -0.000
local terms energy: -33.300443
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.461
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -38.436358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.436358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.436358 (E_RNA)
where:
Base-Base interactions energy: -16.083
where: short stacking energy: -16.083
Base-Backbone interact. energy: -0.008
local terms energy: -22.345645
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -3.152
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -46.348588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.348588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.348588 (E_RNA)
where:
Base-Base interactions energy: -22.535
where: short stacking energy: -22.535
Base-Backbone interact. energy: 0.251
local terms energy: -24.064276
where:
bonds (distance) C4'-P energy: -4.830
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -34.021828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.021828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.021828 (E_RNA)
where:
Base-Base interactions energy: -12.249
where: short stacking energy: -12.249
Base-Backbone interact. energy: -0.005
local terms energy: -21.767112
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -5.526
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: 0.810
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: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -45.843268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.843268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.843268 (E_RNA)
where:
Base-Base interactions energy: -20.202
where: short stacking energy: -20.202
Base-Backbone interact. energy: -0.000
local terms energy: -25.641101
where:
bonds (distance) C4'-P energy: -4.050
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.549
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -40.014399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.014399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.014399 (E_RNA)
where:
Base-Base interactions energy: -15.549
where: short stacking energy: -15.549
Base-Backbone interact. energy: -0.054
local terms energy: -24.411129
where:
bonds (distance) C4'-P energy: -5.152
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -3.742
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -38.129917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.129917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.129917 (E_RNA)
where:
Base-Base interactions energy: -18.649
where: short stacking energy: -14.021
Base-Backbone interact. energy: -0.077
local terms energy: -19.403923
where:
bonds (distance) C4'-P energy: -5.387
bonds (distance) P-C4' energy: -4.351
flat angles C4'-P-C4' energy: -4.821
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -52.279980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.279980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.279980 (E_RNA)
where:
Base-Base interactions energy: -21.555
where: short stacking energy: -21.555
Base-Backbone interact. energy: -0.000
local terms energy: -30.725022
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -4.831
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: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -48.132588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.132588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.132588 (E_RNA)
where:
Base-Base interactions energy: -20.775
where: short stacking energy: -20.775
Base-Backbone interact. energy: -0.286
local terms energy: -27.071427
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.505
flat angles C4'-P-C4' energy: -6.325
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -5.210
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -50.978050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.978050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.978050 (E_RNA)
where:
Base-Base interactions energy: -23.097
where: short stacking energy: -23.097
Base-Backbone interact. energy: -0.000
local terms energy: -27.880747
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -4.660
flat angles C4'-P-C4' energy: -5.113
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -46.504966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.504966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.504966 (E_RNA)
where:
Base-Base interactions energy: -20.218
where: short stacking energy: -20.218
Base-Backbone interact. energy: -0.000
local terms energy: -26.287459
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -42.082282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.082282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.082282 (E_RNA)
where:
Base-Base interactions energy: -17.032
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.006
local terms energy: -25.043754
where:
bonds (distance) C4'-P energy: -5.819
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -34.905172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.905172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.905172 (E_RNA)
where:
Base-Base interactions energy: -13.340
where: short stacking energy: -13.340
Base-Backbone interact. energy: -0.107
local terms energy: -21.458141
where:
bonds (distance) C4'-P energy: -6.580
bonds (distance) P-C4' energy: -5.738
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -35.214839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.214839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.214839 (E_RNA)
where:
Base-Base interactions energy: -13.013
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.120
local terms energy: -22.082615
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -2.545
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -36.926320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.926320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.926320 (E_RNA)
where:
Base-Base interactions energy: -15.315
where: short stacking energy: -13.674
Base-Backbone interact. energy: -0.003
local terms energy: -21.609113
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -4.406
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -1.470
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: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -36.708960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.708960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.708960 (E_RNA)
where:
Base-Base interactions energy: -12.670
where: short stacking energy: -12.670
Base-Backbone interact. energy: -0.000
local terms energy: -24.038893
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -4.692
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -2.593
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: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -34.444762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.444762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.444762 (E_RNA)
where:
Base-Base interactions energy: -14.568
where: short stacking energy: -14.568
Base-Backbone interact. energy: -0.003
local terms energy: -19.873566
where:
bonds (distance) C4'-P energy: -4.548
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -2.502
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -56.790579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.790579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.790579 (E_RNA)
where:
Base-Base interactions energy: -25.638
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.000
local terms energy: -31.152013
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -3.308
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: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -55.889796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.889796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.889796 (E_RNA)
where:
Base-Base interactions energy: -25.198
where: short stacking energy: -25.198
Base-Backbone interact. energy: -0.001
local terms energy: -30.690933
where:
bonds (distance) C4'-P energy: -4.986
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -50.357796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.357796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.357796 (E_RNA)
where:
Base-Base interactions energy: -22.693
where: short stacking energy: -22.693
Base-Backbone interact. energy: -0.001
local terms energy: -27.664262
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.244
flat angles C4'-P-C4' energy: -5.381
flat angles P-C4'-P energy: -4.340
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: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -37.363884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.363884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.363884 (E_RNA)
where:
Base-Base interactions energy: -12.619
where: short stacking energy: -12.619
Base-Backbone interact. energy: -0.005
local terms energy: -24.740802
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -42.667304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.667304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.667304 (E_RNA)
where:
Base-Base interactions energy: -16.185
where: short stacking energy: -16.185
Base-Backbone interact. energy: -0.000
local terms energy: -26.482203
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -40.753731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.753731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.753731 (E_RNA)
where:
Base-Base interactions energy: -11.837
where: short stacking energy: -11.837
Base-Backbone interact. energy: -0.000
local terms energy: -28.917025
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.613
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -42.694024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.694024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.694024 (E_RNA)
where:
Base-Base interactions energy: -16.420
where: short stacking energy: -13.867
Base-Backbone interact. energy: -0.709
local terms energy: -25.564648
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.856
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -40.868311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.868311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.868311 (E_RNA)
where:
Base-Base interactions energy: -15.862
where: short stacking energy: -14.547
Base-Backbone interact. energy: -0.083
local terms energy: -24.922905
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -37.355011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.355011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.355011 (E_RNA)
where:
Base-Base interactions energy: -17.733
where: short stacking energy: -17.733
Base-Backbone interact. energy: -0.001
local terms energy: -19.621680
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -5.720
flat angles C4'-P-C4' energy: -1.914
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -34.731359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.731359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.731359 (E_RNA)
where:
Base-Base interactions energy: -12.945
where: short stacking energy: -12.945
Base-Backbone interact. energy: -0.083
local terms energy: -21.702720
where:
bonds (distance) C4'-P energy: -3.620
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -2.758
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -52.294203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.294203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.294203 (E_RNA)
where:
Base-Base interactions energy: -23.339
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.047
local terms energy: -28.908508
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -44.237461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.237461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.237461 (E_RNA)
where:
Base-Base interactions energy: -19.281
where: short stacking energy: -19.281
Base-Backbone interact. energy: -0.000
local terms energy: -24.956564
where:
bonds (distance) C4'-P energy: -3.728
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -5.511
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: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -49.210960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.210960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.210960 (E_RNA)
where:
Base-Base interactions energy: -19.550
where: short stacking energy: -19.550
Base-Backbone interact. energy: -0.019
local terms energy: -29.642352
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -6.883
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: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -42.597040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.597040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.597040 (E_RNA)
where:
Base-Base interactions energy: -16.297
where: short stacking energy: -16.297
Base-Backbone interact. energy: -0.000
local terms energy: -26.300164
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -4.412
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: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -37.091533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.091533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.091533 (E_RNA)
where:
Base-Base interactions energy: -13.253
where: short stacking energy: -13.253
Base-Backbone interact. energy: -0.006
local terms energy: -23.832479
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -3.122
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: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -38.954776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.954776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.954776 (E_RNA)
where:
Base-Base interactions energy: -12.982
where: short stacking energy: -11.703
Base-Backbone interact. energy: -0.243
local terms energy: -25.729297
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -2.266
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -44.168168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.168168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.168168 (E_RNA)
where:
Base-Base interactions energy: -17.536
where: short stacking energy: -17.536
Base-Backbone interact. energy: -0.000
local terms energy: -26.632357
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -35.733232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.733232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.733232 (E_RNA)
where:
Base-Base interactions energy: -10.554
where: short stacking energy: -10.554
Base-Backbone interact. energy: -0.082
local terms energy: -25.097274
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -34.695994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.695994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.695994 (E_RNA)
where:
Base-Base interactions energy: -14.917
where: short stacking energy: -14.917
Base-Backbone interact. energy: -0.008
local terms energy: -19.771046
where:
bonds (distance) C4'-P energy: -4.125
bonds (distance) P-C4' energy: -5.127
flat angles C4'-P-C4' energy: -4.056
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -1.323
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: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -32.538770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.538770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.538770 (E_RNA)
where:
Base-Base interactions energy: -12.257
where: short stacking energy: -12.257
Base-Backbone interact. energy: -0.000
local terms energy: -20.281801
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -4.215
flat angles C4'-P-C4' energy: -4.990
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -51.362939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.362939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.362939 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.000
local terms energy: -25.290628
where:
bonds (distance) C4'-P energy: -3.977
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -55.401710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.401710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.401710 (E_RNA)
where:
Base-Base interactions energy: -22.987
where: short stacking energy: -22.987
Base-Backbone interact. energy: -0.000
local terms energy: -32.414609
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -50.334111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.334111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.334111 (E_RNA)
where:
Base-Base interactions energy: -20.397
where: short stacking energy: -20.397
Base-Backbone interact. energy: -0.000
local terms energy: -29.936859
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -51.676791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.676791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.676791 (E_RNA)
where:
Base-Base interactions energy: -19.096
where: short stacking energy: -19.096
Base-Backbone interact. energy: -0.000
local terms energy: -32.580934
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -7.795
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: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -44.270856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.270856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.270856 (E_RNA)
where:
Base-Base interactions energy: -15.653
where: short stacking energy: -15.653
Base-Backbone interact. energy: -0.000
local terms energy: -28.617534
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -42.517703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.517703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.517703 (E_RNA)
where:
Base-Base interactions energy: -17.128
where: short stacking energy: -14.236
Base-Backbone interact. energy: 0.668
local terms energy: -26.057683
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -39.171777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.171777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.171777 (E_RNA)
where:
Base-Base interactions energy: -12.282
where: short stacking energy: -12.282
Base-Backbone interact. energy: -0.205
local terms energy: -26.684587
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.419
flat angles P-C4'-P energy: -5.774
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: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -39.068588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.068588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.068588 (E_RNA)
where:
Base-Base interactions energy: -15.139
where: short stacking energy: -12.522
Base-Backbone interact. energy: -0.030
local terms energy: -23.900433
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -41.096498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.096498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.096498 (E_RNA)
where:
Base-Base interactions energy: -17.112
where: short stacking energy: -11.410
Base-Backbone interact. energy: -0.807
local terms energy: -23.176993
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.118
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -33.345596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.345596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.345596 (E_RNA)
where:
Base-Base interactions energy: -12.634
where: short stacking energy: -12.634
Base-Backbone interact. energy: -0.048
local terms energy: -20.663828
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -3.262
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -46.216968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.216968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.216968 (E_RNA)
where:
Base-Base interactions energy: -15.283
where: short stacking energy: -15.283
Base-Backbone interact. energy: -0.094
local terms energy: -30.840302
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.624
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -55.832675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.832675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.832675 (E_RNA)
where:
Base-Base interactions energy: -24.993
where: short stacking energy: -24.993
Base-Backbone interact. energy: -0.000
local terms energy: -30.839251
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -54.435781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.435781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.435781 (E_RNA)
where:
Base-Base interactions energy: -23.517
where: short stacking energy: -23.517
Base-Backbone interact. energy: -0.000
local terms energy: -30.918275
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -46.176604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.176604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.176604 (E_RNA)
where:
Base-Base interactions energy: -17.573
where: short stacking energy: -17.573
Base-Backbone interact. energy: -0.002
local terms energy: -28.602200
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -4.597
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -46.300682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.300682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.300682 (E_RNA)
where:
Base-Base interactions energy: -19.893
where: short stacking energy: -19.407
Base-Backbone interact. energy: -0.000
local terms energy: -26.407556
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -5.019
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -5.240
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: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -47.352082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.352082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.352082 (E_RNA)
where:
Base-Base interactions energy: -17.707
where: short stacking energy: -17.707
Base-Backbone interact. energy: -0.015
local terms energy: -29.630241
where:
bonds (distance) C4'-P energy: -5.840
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -36.764134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.764134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.764134 (E_RNA)
where:
Base-Base interactions energy: -10.684
where: short stacking energy: -10.684
Base-Backbone interact. energy: -0.000
local terms energy: -26.080362
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -39.389581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.389581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.389581 (E_RNA)
where:
Base-Base interactions energy: -14.871
where: short stacking energy: -14.871
Base-Backbone interact. energy: -0.174
local terms energy: -24.344849
where:
bonds (distance) C4'-P energy: -4.688
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.704
flat angles P-C4'-P energy: -2.193
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -33.528307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.528307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.528307 (E_RNA)
where:
Base-Base interactions energy: -12.817
where: short stacking energy: -12.817
Base-Backbone interact. energy: -0.000
local terms energy: -20.711083
where:
bonds (distance) C4'-P energy: -2.527
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -32.140742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.140742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.140742 (E_RNA)
where:
Base-Base interactions energy: -8.797
where: short stacking energy: -8.797
Base-Backbone interact. energy: -0.000
local terms energy: -23.343216
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -5.233
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -48.207122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.207122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.207122 (E_RNA)
where:
Base-Base interactions energy: -21.788
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.000
local terms energy: -26.418947
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -3.124
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: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -50.221236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.221236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.221236 (E_RNA)
where:
Base-Base interactions energy: -24.836
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.000
local terms energy: -25.385710
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -4.483
flat angles C4'-P-C4' energy: -4.837
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -5.082
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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -39.123797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.123797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.123797 (E_RNA)
where:
Base-Base interactions energy: -17.479
where: short stacking energy: -13.474
Base-Backbone interact. energy: -0.124
local terms energy: -21.520923
where:
bonds (distance) C4'-P energy: -4.366
bonds (distance) P-C4' energy: -4.705
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -47.053028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.053028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.053028 (E_RNA)
where:
Base-Base interactions energy: -18.374
where: short stacking energy: -18.374
Base-Backbone interact. energy: -0.038
local terms energy: -28.641420
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.319
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -44.870931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.870931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.870931 (E_RNA)
where:
Base-Base interactions energy: -20.676
where: short stacking energy: -16.200
Base-Backbone interact. energy: -0.001
local terms energy: -24.193949
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -2.414
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: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -42.292612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.292612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.292612 (E_RNA)
where:
Base-Base interactions energy: -17.486
where: short stacking energy: -17.486
Base-Backbone interact. energy: -0.008
local terms energy: -24.799409
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.842
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -34.164918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.164918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.164918 (E_RNA)
where:
Base-Base interactions energy: -14.327
where: short stacking energy: -14.327
Base-Backbone interact. energy: -0.552
local terms energy: -19.286372
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.740
flat angles C4'-P-C4' energy: -2.342
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -34.776871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.776871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.776871 (E_RNA)
where:
Base-Base interactions energy: -11.721
where: short stacking energy: -11.721
Base-Backbone interact. energy: -0.001
local terms energy: -23.055152
where:
bonds (distance) C4'-P energy: -3.257
bonds (distance) P-C4' energy: -6.336
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -2.940
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: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -36.453943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.453943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.453943 (E_RNA)
where:
Base-Base interactions energy: -12.574
where: short stacking energy: -10.244
Base-Backbone interact. energy: 0.804
local terms energy: -24.683841
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -34.676298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.676298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.676298 (E_RNA)
where:
Base-Base interactions energy: -12.889
where: short stacking energy: -12.889
Base-Backbone interact. energy: -0.093
local terms energy: -21.694143
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -7.033
flat angles P-C4'-P energy: 0.884
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -49.412813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.412813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.412813 (E_RNA)
where:
Base-Base interactions energy: -22.105
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.000
local terms energy: -27.307904
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -3.897
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -50.317102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.317102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.317102 (E_RNA)
where:
Base-Base interactions energy: -20.102
where: short stacking energy: -20.102
Base-Backbone interact. energy: -0.000
local terms energy: -30.215110
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -50.880676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.880676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.880676 (E_RNA)
where:
Base-Base interactions energy: -18.762
where: short stacking energy: -18.762
Base-Backbone interact. energy: -0.000
local terms energy: -32.118258
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.871
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -52.611804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.611804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.611804 (E_RNA)
where:
Base-Base interactions energy: -19.921
where: short stacking energy: -19.921
Base-Backbone interact. energy: -0.002
local terms energy: -32.689395
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -48.014682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.014682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.014682 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -29.118723
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -6.985
flat angles C4'-P-C4' energy: -5.238
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -39.986522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.986522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.986522 (E_RNA)
where:
Base-Base interactions energy: -17.216
where: short stacking energy: -16.853
Base-Backbone interact. energy: -0.000
local terms energy: -22.770680
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -2.754
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -48.313030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.313030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.313030 (E_RNA)
where:
Base-Base interactions energy: -18.309
where: short stacking energy: -18.309
Base-Backbone interact. energy: -0.000
local terms energy: -30.003799
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -30.322618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.322618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.322618 (E_RNA)
where:
Base-Base interactions energy: -8.689
where: short stacking energy: -8.689
Base-Backbone interact. energy: -0.084
local terms energy: -21.549560
where:
bonds (distance) C4'-P energy: -4.883
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -4.494
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: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -34.659259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.659259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.659259 (E_RNA)
where:
Base-Base interactions energy: -12.231
where: short stacking energy: -12.231
Base-Backbone interact. energy: -0.073
local terms energy: -22.355943
where:
bonds (distance) C4'-P energy: -3.376
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -34.112156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.112156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.112156 (E_RNA)
where:
Base-Base interactions energy: -14.510
where: short stacking energy: -14.222
Base-Backbone interact. energy: -0.468
local terms energy: -19.134179
where:
bonds (distance) C4'-P energy: -3.372
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -43.954330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.954330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.954330 (E_RNA)
where:
Base-Base interactions energy: -18.120
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.011
local terms energy: -25.823121
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -44.178161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.178161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.178161 (E_RNA)
where:
Base-Base interactions energy: -20.790
where: short stacking energy: -19.129
Base-Backbone interact. energy: -0.000
local terms energy: -23.388490
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -2.166
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -47.984671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.984671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.984671 (E_RNA)
where:
Base-Base interactions energy: -21.621
where: short stacking energy: -21.621
Base-Backbone interact. energy: -0.092
local terms energy: -26.271152
where:
bonds (distance) C4'-P energy: -1.695
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -48.690365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.690365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.690365 (E_RNA)
where:
Base-Base interactions energy: -19.235
where: short stacking energy: -19.235
Base-Backbone interact. energy: -0.032
local terms energy: -29.423578
where:
bonds (distance) C4'-P energy: -3.844
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -37.858980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.858980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.858980 (E_RNA)
where:
Base-Base interactions energy: -15.841
where: short stacking energy: -15.841
Base-Backbone interact. energy: -0.000
local terms energy: -22.018242
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -1.730
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -36.331586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.331586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.331586 (E_RNA)
where:
Base-Base interactions energy: -12.249
where: short stacking energy: -12.249
Base-Backbone interact. energy: -0.686
local terms energy: -23.396997
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -0.055
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -45.308611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.308611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.308611 (E_RNA)
where:
Base-Base interactions energy: -19.133
where: short stacking energy: -10.827
Base-Backbone interact. energy: -0.001
local terms energy: -26.174980
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -6.268
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -3.631
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: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -34.891880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.891880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.891880 (E_RNA)
where:
Base-Base interactions energy: -9.497
where: short stacking energy: -9.497
Base-Backbone interact. energy: -0.000
local terms energy: -25.394336
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -4.234
flat angles C4'-P-C4' energy: -6.718
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -44.603429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.603429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.603429 (E_RNA)
where:
Base-Base interactions energy: -22.093
where: short stacking energy: -14.897
Base-Backbone interact. energy: -0.047
local terms energy: -22.463754
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -6.225
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -33.517857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.517857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.517857 (E_RNA)
where:
Base-Base interactions energy: -13.420
where: short stacking energy: -13.420
Base-Backbone interact. energy: -0.010
local terms energy: -20.087672
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -1.656
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -48.737140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.737140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.737140 (E_RNA)
where:
Base-Base interactions energy: -21.433
where: short stacking energy: -21.433
Base-Backbone interact. energy: -0.001
local terms energy: -27.303036
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.627
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -51.777118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.777118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.777118 (E_RNA)
where:
Base-Base interactions energy: -24.894
where: short stacking energy: -24.894
Base-Backbone interact. energy: -0.000
local terms energy: -26.883281
where:
bonds (distance) C4'-P energy: -6.035
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -43.567687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.567687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.567687 (E_RNA)
where:
Base-Base interactions energy: -18.736
where: short stacking energy: -18.105
Base-Backbone interact. energy: -0.070
local terms energy: -24.761547
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -3.622
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -50.242193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.242193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.242193 (E_RNA)
where:
Base-Base interactions energy: -17.734
where: short stacking energy: -17.734
Base-Backbone interact. energy: -0.000
local terms energy: -32.508194
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.569
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -43.317905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.317905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.317905 (E_RNA)
where:
Base-Base interactions energy: -13.833
where: short stacking energy: -11.985
Base-Backbone interact. energy: -0.072
local terms energy: -29.412896
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -41.520748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.520748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.520748 (E_RNA)
where:
Base-Base interactions energy: -15.882
where: short stacking energy: -15.882
Base-Backbone interact. energy: -0.004
local terms energy: -25.634610
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -4.466
flat angles P-C4'-P energy: -4.823
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: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -36.314352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.314352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.314352 (E_RNA)
where:
Base-Base interactions energy: -15.746
where: short stacking energy: -15.746
Base-Backbone interact. energy: 0.647
local terms energy: -21.215316
where:
bonds (distance) C4'-P energy: -5.421
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: -1.394
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: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -38.300626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.300626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.300626 (E_RNA)
where:
Base-Base interactions energy: -18.324
where: short stacking energy: -18.324
Base-Backbone interact. energy: -0.000
local terms energy: -19.976387
where:
bonds (distance) C4'-P energy: -2.999
bonds (distance) P-C4' energy: -5.293
flat angles C4'-P-C4' energy: -3.857
flat angles P-C4'-P energy: -1.872
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -39.093151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.093151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.093151 (E_RNA)
where:
Base-Base interactions energy: -16.924
where: short stacking energy: -13.664
Base-Backbone interact. energy: -0.052
local terms energy: -22.117472
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -3.860
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -1.790
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: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -35.672315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.672315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.672315 (E_RNA)
where:
Base-Base interactions energy: -10.816
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.000
local terms energy: -24.856160
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -56.361717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.361717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.361717 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.000
local terms energy: -30.804833
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -6.238
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -49.134492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.134492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.134492 (E_RNA)
where:
Base-Base interactions energy: -18.328
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.009
local terms energy: -30.798205
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -5.294
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: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -46.752853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.752853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.752853 (E_RNA)
where:
Base-Base interactions energy: -19.885
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.000
local terms energy: -26.867856
where:
bonds (distance) C4'-P energy: -3.347
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -41.894676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.894676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.894676 (E_RNA)
where:
Base-Base interactions energy: -13.917
where: short stacking energy: -13.917
Base-Backbone interact. energy: -0.047
local terms energy: -27.929930
where:
bonds (distance) C4'-P energy: -5.997
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -3.642
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: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -46.055380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.055380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.055380 (E_RNA)
where:
Base-Base interactions energy: -21.639
where: short stacking energy: -21.639
Base-Backbone interact. energy: -0.000
local terms energy: -24.416337
where:
bonds (distance) C4'-P energy: -4.100
bonds (distance) P-C4' energy: -5.216
flat angles C4'-P-C4' energy: -4.657
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -44.225912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.225912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.225912 (E_RNA)
where:
Base-Base interactions energy: -15.966
where: short stacking energy: -15.966
Base-Backbone interact. energy: -0.000
local terms energy: -28.259292
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -35.669826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.669826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.669826 (E_RNA)
where:
Base-Base interactions energy: -8.368
where: short stacking energy: -8.368
Base-Backbone interact. energy: -0.022
local terms energy: -27.280245
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.239
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -2.071
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: 426
Temperature: 1.250000
Total energy: -38.965413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.965413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.965413 (E_RNA)
where:
Base-Base interactions energy: -13.128
where: short stacking energy: -13.128
Base-Backbone interact. energy: -0.000
local terms energy: -25.836541
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -37.886586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.886586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.886586 (E_RNA)
where:
Base-Base interactions energy: -16.147
where: short stacking energy: -16.147
Base-Backbone interact. energy: -0.020
local terms energy: -21.719939
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -6.026
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -36.607997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.607997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.607997 (E_RNA)
where:
Base-Base interactions energy: -10.953
where: short stacking energy: -10.953
Base-Backbone interact. energy: -0.000
local terms energy: -25.655432
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -2.845
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: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -48.588404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.588404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.588404 (E_RNA)
where:
Base-Base interactions energy: -22.150
where: short stacking energy: -21.182
Base-Backbone interact. energy: -0.000
local terms energy: -26.438413
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -3.365
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -5.604
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -60.512759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.512759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.512759 (E_RNA)
where:
Base-Base interactions energy: -28.069
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.000
local terms energy: -32.443654
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -49.529192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.529192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.529192 (E_RNA)
where:
Base-Base interactions energy: -19.397
where: short stacking energy: -19.397
Base-Backbone interact. energy: -0.000
local terms energy: -30.132362
where:
bonds (distance) C4'-P energy: -6.278
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -52.380886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.380886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.380886 (E_RNA)
where:
Base-Base interactions energy: -25.694
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.005
local terms energy: -26.682651
where:
bonds (distance) C4'-P energy: -3.480
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -5.006
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -39.669941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.669941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.669941 (E_RNA)
where:
Base-Base interactions energy: -13.397
where: short stacking energy: -11.761
Base-Backbone interact. energy: -0.057
local terms energy: -26.215732
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -32.983157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.983157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.983157 (E_RNA)
where:
Base-Base interactions energy: -10.354
where: short stacking energy: -10.354
Base-Backbone interact. energy: -0.059
local terms energy: -22.570666
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -43.717845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.717845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.717845 (E_RNA)
where:
Base-Base interactions energy: -19.897
where: short stacking energy: -16.168
Base-Backbone interact. energy: -0.001
local terms energy: -23.820593
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -37.381449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.381449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.381449 (E_RNA)
where:
Base-Base interactions energy: -12.548
where: short stacking energy: -12.548
Base-Backbone interact. energy: -0.020
local terms energy: -24.813224
where:
bonds (distance) C4'-P energy: -3.132
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -35.345823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.345823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.345823 (E_RNA)
where:
Base-Base interactions energy: -11.392
where: short stacking energy: -11.392
Base-Backbone interact. energy: -0.043
local terms energy: -23.910853
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: 1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -34.667139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.667139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.667139 (E_RNA)
where:
Base-Base interactions energy: -14.587
where: short stacking energy: -11.310
Base-Backbone interact. energy: 1.491
local terms energy: -21.571735
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -3.717
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: 0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -57.160746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.160746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.160746 (E_RNA)
where:
Base-Base interactions energy: -24.693
where: short stacking energy: -24.693
Base-Backbone interact. energy: -0.000
local terms energy: -32.467544
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -50.983809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.983809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.983809 (E_RNA)
where:
Base-Base interactions energy: -22.607
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.000
local terms energy: -28.376715
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.052
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -45.416496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.416496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.416496 (E_RNA)
where:
Base-Base interactions energy: -18.809
where: short stacking energy: -18.809
Base-Backbone interact. energy: -0.000
local terms energy: -26.607873
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -4.807
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -45.658907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.658907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.658907 (E_RNA)
where:
Base-Base interactions energy: -19.058
where: short stacking energy: -19.058
Base-Backbone interact. energy: -0.044
local terms energy: -26.556993
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -40.041484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.041484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.041484 (E_RNA)
where:
Base-Base interactions energy: -12.786
where: short stacking energy: -12.786
Base-Backbone interact. energy: -0.000
local terms energy: -27.255668
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -5.749
flat angles C4'-P-C4' energy: -5.974
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -34.530929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.530929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.530929 (E_RNA)
where:
Base-Base interactions energy: -12.592
where: short stacking energy: -7.609
Base-Backbone interact. energy: -0.866
local terms energy: -21.072209
where:
bonds (distance) C4'-P energy: -3.161
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.827
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -41.451569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.451569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.451569 (E_RNA)
where:
Base-Base interactions energy: -16.801
where: short stacking energy: -16.801
Base-Backbone interact. energy: -0.002
local terms energy: -24.648900
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -6.356
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -38.349832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.349832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.349832 (E_RNA)
where:
Base-Base interactions energy: -16.536
where: short stacking energy: -16.536
Base-Backbone interact. energy: 0.590
local terms energy: -22.404302
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -4.638
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -34.495627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.495627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.495627 (E_RNA)
where:
Base-Base interactions energy: -15.038
where: short stacking energy: -15.038
Base-Backbone interact. energy: 0.116
local terms energy: -19.573989
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -2.536
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -37.547235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.547235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.547235 (E_RNA)
where:
Base-Base interactions energy: -13.598
where: short stacking energy: -13.598
Base-Backbone interact. energy: -0.000
local terms energy: -23.948918
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -46.434106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.434106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.434106 (E_RNA)
where:
Base-Base interactions energy: -22.106
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.000
local terms energy: -24.327923
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -3.827
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -2.783
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: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -45.562535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.562535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.562535 (E_RNA)
where:
Base-Base interactions energy: -18.071
where: short stacking energy: -18.071
Base-Backbone interact. energy: -0.016
local terms energy: -27.475827
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -1.630
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -52.282776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.282776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.282776 (E_RNA)
where:
Base-Base interactions energy: -27.757
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.000
local terms energy: -24.525655
where:
bonds (distance) C4'-P energy: -6.089
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -4.323
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -42.011971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.011971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.011971 (E_RNA)
where:
Base-Base interactions energy: -16.979
where: short stacking energy: -16.979
Base-Backbone interact. energy: -0.002
local terms energy: -25.030701
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -4.140
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -35.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.944487 (E_RNA)
where:
Base-Base interactions energy: -16.231
where: short stacking energy: -14.279
Base-Backbone interact. energy: -0.062
local terms energy: -19.651032
where:
bonds (distance) C4'-P energy: -2.461
bonds (distance) P-C4' energy: -6.413
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -31.500830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.500830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.500830 (E_RNA)
where:
Base-Base interactions energy: -9.090
where: short stacking energy: -9.090
Base-Backbone interact. energy: -0.187
local terms energy: -22.223950
where:
bonds (distance) C4'-P energy: -5.529
bonds (distance) P-C4' energy: -5.354
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -37.803210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.803210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.803210 (E_RNA)
where:
Base-Base interactions energy: -12.379
where: short stacking energy: -12.379
Base-Backbone interact. energy: -0.006
local terms energy: -25.417862
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.216
flat angles C4'-P-C4' energy: -6.138
flat angles P-C4'-P energy: -1.846
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -34.890487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.890487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.890487 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -17.858
Base-Backbone interact. energy: -0.003
local terms energy: -17.029492
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -3.778
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -1.400
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -34.162038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.162038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.162038 (E_RNA)
where:
Base-Base interactions energy: -11.649
where: short stacking energy: -11.649
Base-Backbone interact. energy: -0.018
local terms energy: -22.495333
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.513
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -33.131415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.131415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.131415 (E_RNA)
where:
Base-Base interactions energy: -13.411
where: short stacking energy: -13.411
Base-Backbone interact. energy: -0.052
local terms energy: -19.668452
where:
bonds (distance) C4'-P energy: -3.504
bonds (distance) P-C4' energy: -5.032
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -3.657
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: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -55.499579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.499579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.499579 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.000
local terms energy: -29.420463
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -49.185859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.185859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.185859 (E_RNA)
where:
Base-Base interactions energy: -22.407
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.005
local terms energy: -26.773639
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -4.727
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: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -44.129384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.129384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.129384 (E_RNA)
where:
Base-Base interactions energy: -17.118
where: short stacking energy: -17.118
Base-Backbone interact. energy: -0.034
local terms energy: -26.977876
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -42.360440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.360440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.360440 (E_RNA)
where:
Base-Base interactions energy: -20.881
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.257
local terms energy: -21.222401
where:
bonds (distance) C4'-P energy: -2.602
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -5.562
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: -3.399
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: 430
Temperature: 1.100000
Total energy: -40.189759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.189759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.189759 (E_RNA)
where:
Base-Base interactions energy: -16.046
where: short stacking energy: -16.046
Base-Backbone interact. energy: -0.000
local terms energy: -24.144062
where:
bonds (distance) C4'-P energy: -4.581
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -1.620
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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -39.952472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.952472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.952472 (E_RNA)
where:
Base-Base interactions energy: -13.566
where: short stacking energy: -13.566
Base-Backbone interact. energy: -0.100
local terms energy: -26.286679
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -33.679620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.679620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.679620 (E_RNA)
where:
Base-Base interactions energy: -10.008
where: short stacking energy: -8.014
Base-Backbone interact. energy: -0.107
local terms energy: -23.564815
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -35.142196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.142196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.142196 (E_RNA)
where:
Base-Base interactions energy: -13.360
where: short stacking energy: -13.360
Base-Backbone interact. energy: -0.007
local terms energy: -21.774857
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: 0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -34.617577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.617577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.617577 (E_RNA)
where:
Base-Base interactions energy: -13.154
where: short stacking energy: -13.154
Base-Backbone interact. energy: -0.139
local terms energy: -21.324422
where:
bonds (distance) C4'-P energy: -6.141
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: 0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -34.151853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.151853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.151853 (E_RNA)
where:
Base-Base interactions energy: -10.275
where: short stacking energy: -9.553
Base-Backbone interact. energy: -0.002
local terms energy: -23.875083
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -4.457
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -50.401738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.401738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.401738 (E_RNA)
where:
Base-Base interactions energy: -21.495
where: short stacking energy: -21.495
Base-Backbone interact. energy: -0.000
local terms energy: -28.906553
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -50.251597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.251597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.251597 (E_RNA)
where:
Base-Base interactions energy: -20.544
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.000
local terms energy: -29.706859
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -4.406
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: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -50.385187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.385187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.385187 (E_RNA)
where:
Base-Base interactions energy: -19.704
where: short stacking energy: -15.164
Base-Backbone interact. energy: -0.044
local terms energy: -30.637074
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -6.985
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: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -48.465305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.465305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.465305 (E_RNA)
where:
Base-Base interactions energy: -20.882
where: short stacking energy: -20.882
Base-Backbone interact. energy: -0.000
local terms energy: -27.582857
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -5.258
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -49.315572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.315572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.315572 (E_RNA)
where:
Base-Base interactions energy: -19.409
where: short stacking energy: -19.409
Base-Backbone interact. energy: 1.079
local terms energy: -30.986014
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -6.595
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.163
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -39.792266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.792266 (E_RNA)
where:
Base-Base interactions energy: -16.087
where: short stacking energy: -16.087
Base-Backbone interact. energy: -0.021
local terms energy: -23.684522
where:
bonds (distance) C4'-P energy: -6.283
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -5.863
flat angles P-C4'-P energy: -4.805
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: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -33.013638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.013638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.013638 (E_RNA)
where:
Base-Base interactions energy: -8.540
where: short stacking energy: -8.540
Base-Backbone interact. energy: -0.000
local terms energy: -24.473403
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -37.729669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.729669 (E_RNA)
where:
Base-Base interactions energy: -14.755
where: short stacking energy: -14.755
Base-Backbone interact. energy: -0.083
local terms energy: -22.890962
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -6.013
flat angles P-C4'-P energy: -1.563
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -41.111052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.111052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.111052 (E_RNA)
where:
Base-Base interactions energy: -17.178
where: short stacking energy: -16.036
Base-Backbone interact. energy: -0.000
local terms energy: -23.932610
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -33.808100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.808100 (E_RNA)
where:
Base-Base interactions energy: -10.570
where: short stacking energy: -10.570
Base-Backbone interact. energy: -0.003
local terms energy: -23.235138
where:
bonds (distance) C4'-P energy: -3.587
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -4.057
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: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -57.487587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.487587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.487587 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.000
local terms energy: -30.745447
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -47.020381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.020381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.020381 (E_RNA)
where:
Base-Base interactions energy: -17.366
where: short stacking energy: -17.366
Base-Backbone interact. energy: -0.092
local terms energy: -29.561846
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.524
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -45.837183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.837183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.837183 (E_RNA)
where:
Base-Base interactions energy: -15.864
where: short stacking energy: -14.795
Base-Backbone interact. energy: -0.000
local terms energy: -29.972811
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.170
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -36.563532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.563532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.563532 (E_RNA)
where:
Base-Base interactions energy: -12.131
where: short stacking energy: -12.131
Base-Backbone interact. energy: -0.146
local terms energy: -24.286624
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -5.765
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -1.501
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: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -47.643907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.643907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.643907 (E_RNA)
where:
Base-Base interactions energy: -20.398
where: short stacking energy: -20.398
Base-Backbone interact. energy: -0.003
local terms energy: -27.243600
where:
bonds (distance) C4'-P energy: -4.410
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.983
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -41.798062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.798062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.798062 (E_RNA)
where:
Base-Base interactions energy: -15.138
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.126
local terms energy: -26.533914
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -2.941
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -39.312835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.312835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.312835 (E_RNA)
where:
Base-Base interactions energy: -14.434
where: short stacking energy: -14.434
Base-Backbone interact. energy: -0.000
local terms energy: -24.878789
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -2.603
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: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -42.927164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.927164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.927164 (E_RNA)
where:
Base-Base interactions energy: -17.545
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.018
local terms energy: -25.363282
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -4.075
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -35.856371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.856371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.856371 (E_RNA)
where:
Base-Base interactions energy: -12.940
where: short stacking energy: -12.843
Base-Backbone interact. energy: -0.102
local terms energy: -22.814132
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -34.507064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.507064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.507064 (E_RNA)
where:
Base-Base interactions energy: -10.378
where: short stacking energy: -10.378
Base-Backbone interact. energy: -0.258
local terms energy: -23.870546
where:
bonds (distance) C4'-P energy: -3.927
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -58.557937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.557937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.557937 (E_RNA)
where:
Base-Base interactions energy: -24.007
where: short stacking energy: -24.007
Base-Backbone interact. energy: -0.000
local terms energy: -34.550437
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.424
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -8.650
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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -58.762204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.762204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.762204 (E_RNA)
where:
Base-Base interactions energy: -26.640
where: short stacking energy: -26.640
Base-Backbone interact. energy: -0.000
local terms energy: -32.122622
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -7.098
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -49.932344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.932344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.932344 (E_RNA)
where:
Base-Base interactions energy: -20.870
where: short stacking energy: -20.870
Base-Backbone interact. energy: -0.000
local terms energy: -29.062328
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: -2.588
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -50.313210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.313210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.313210 (E_RNA)
where:
Base-Base interactions energy: -21.545
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.000
local terms energy: -28.767791
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -5.870
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: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -40.928040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.928040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.928040 (E_RNA)
where:
Base-Base interactions energy: -17.282
where: short stacking energy: -17.282
Base-Backbone interact. energy: -0.002
local terms energy: -23.644741
where:
bonds (distance) C4'-P energy: -5.375
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -2.918
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -48.198228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.198228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.198228 (E_RNA)
where:
Base-Base interactions energy: -20.807
where: short stacking energy: -20.807
Base-Backbone interact. energy: -0.000
local terms energy: -27.391452
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -41.368294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.368294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.368294 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -13.724
Base-Backbone interact. energy: -0.108
local terms energy: -26.371429
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -4.438
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: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -34.521047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.521047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.521047 (E_RNA)
where:
Base-Base interactions energy: -14.972
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.060
local terms energy: -19.488684
where:
bonds (distance) C4'-P energy: -3.029
bonds (distance) P-C4' energy: -5.152
flat angles C4'-P-C4' energy: -4.335
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -41.133153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.133153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.133153 (E_RNA)
where:
Base-Base interactions energy: -14.241
where: short stacking energy: -14.241
Base-Backbone interact. energy: -0.004
local terms energy: -26.888134
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -1.791
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -33.828477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.828477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.828477 (E_RNA)
where:
Base-Base interactions energy: -10.755
where: short stacking energy: -10.755
Base-Backbone interact. energy: -0.015
local terms energy: -23.058754
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -4.813
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: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -53.963617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.963617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.963617 (E_RNA)
where:
Base-Base interactions energy: -26.059
where: short stacking energy: -26.059
Base-Backbone interact. energy: -0.000
local terms energy: -27.904699
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.598
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -55.581421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.581421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.581421 (E_RNA)
where:
Base-Base interactions energy: -23.982
where: short stacking energy: -23.982
Base-Backbone interact. energy: -0.000
local terms energy: -31.599472
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.739
flat angles P-C4'-P energy: -3.832
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: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -50.567239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.567239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.567239 (E_RNA)
where:
Base-Base interactions energy: -20.564
where: short stacking energy: -20.564
Base-Backbone interact. energy: -0.000
local terms energy: -30.003559
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -47.522938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.522938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.522938 (E_RNA)
where:
Base-Base interactions energy: -19.102
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.006
local terms energy: -28.414878
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -4.986
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: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -39.126376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.126376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.126376 (E_RNA)
where:
Base-Base interactions energy: -14.792
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.004
local terms energy: -24.329655
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -4.134
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -4.176
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: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -38.070959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.070959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.070959 (E_RNA)
where:
Base-Base interactions energy: -11.401
where: short stacking energy: -11.401
Base-Backbone interact. energy: -0.082
local terms energy: -26.587786
where:
bonds (distance) C4'-P energy: -3.960
bonds (distance) P-C4' energy: -7.262
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -4.485
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -34.193352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.193352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.193352 (E_RNA)
where:
Base-Base interactions energy: -9.671
where: short stacking energy: -9.671
Base-Backbone interact. energy: -0.006
local terms energy: -24.516916
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -4.751
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -38.499924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.499924 (E_RNA)
where:
Base-Base interactions energy: -14.533
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.002
local terms energy: -23.964959
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -2.174
tors. eta vs tors. theta energy: -3.723
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: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -39.660377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.660377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.660377 (E_RNA)
where:
Base-Base interactions energy: -13.750
where: short stacking energy: -14.950
Base-Backbone interact. energy: -0.083
local terms energy: -25.827537
where:
bonds (distance) C4'-P energy: -5.988
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -4.448
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: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -36.021319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.021319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.021319 (E_RNA)
where:
Base-Base interactions energy: -19.190
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.005
local terms energy: -16.826171
where:
bonds (distance) C4'-P energy: -4.986
bonds (distance) P-C4' energy: -2.768
flat angles C4'-P-C4' energy: -4.358
flat angles P-C4'-P energy: -3.565
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -47.101948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.101948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.101948 (E_RNA)
where:
Base-Base interactions energy: -20.401
where: short stacking energy: -20.401
Base-Backbone interact. energy: -0.000
local terms energy: -26.700842
where:
bonds (distance) C4'-P energy: -5.263
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.728
flat angles P-C4'-P energy: -3.904
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: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -50.253348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.253348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.253348 (E_RNA)
where:
Base-Base interactions energy: -21.574
where: short stacking energy: -21.574
Base-Backbone interact. energy: -0.057
local terms energy: -28.621787
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -5.525
flat angles P-C4'-P energy: -5.794
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: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -50.254974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.254974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.254974 (E_RNA)
where:
Base-Base interactions energy: -21.781
where: short stacking energy: -21.781
Base-Backbone interact. energy: -0.099
local terms energy: -28.375005
where:
bonds (distance) C4'-P energy: -4.305
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -42.236287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.236287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.236287 (E_RNA)
where:
Base-Base interactions energy: -16.654
where: short stacking energy: -16.654
Base-Backbone interact. energy: -0.001
local terms energy: -25.581265
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -4.156
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -40.319448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.319448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.319448 (E_RNA)
where:
Base-Base interactions energy: -14.231
where: short stacking energy: -14.231
Base-Backbone interact. energy: -0.001
local terms energy: -26.086569
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -37.238083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.238083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.238083 (E_RNA)
where:
Base-Base interactions energy: -18.618
where: short stacking energy: -13.466
Base-Backbone interact. energy: -0.000
local terms energy: -18.619987
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -3.039
flat angles P-C4'-P energy: -0.773
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -36.989361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.989361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.989361 (E_RNA)
where:
Base-Base interactions energy: -10.907
where: short stacking energy: -6.969
Base-Backbone interact. energy: -0.085
local terms energy: -25.997719
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -37.059091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.059091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.059091 (E_RNA)
where:
Base-Base interactions energy: -12.262
where: short stacking energy: -12.262
Base-Backbone interact. energy: -0.051
local terms energy: -24.746432
where:
bonds (distance) C4'-P energy: -6.216
bonds (distance) P-C4' energy: -5.996
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -37.230638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.230638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.230638 (E_RNA)
where:
Base-Base interactions energy: -13.371
where: short stacking energy: -9.736
Base-Backbone interact. energy: -0.186
local terms energy: -23.673992
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -38.033682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.033682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.033682 (E_RNA)
where:
Base-Base interactions energy: -14.719
where: short stacking energy: -11.206
Base-Backbone interact. energy: -0.044
local terms energy: -23.270204
where:
bonds (distance) C4'-P energy: -5.919
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -58.077899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.077899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.077899 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -30.212
Base-Backbone interact. energy: -0.000
local terms energy: -27.865487
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -2.832
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -45.011539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.011539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.011539 (E_RNA)
where:
Base-Base interactions energy: -14.498
where: short stacking energy: -14.498
Base-Backbone interact. energy: -0.491
local terms energy: -30.022360
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -5.007
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: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -46.064014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.064014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.064014 (E_RNA)
where:
Base-Base interactions energy: -17.987
where: short stacking energy: -14.615
Base-Backbone interact. energy: -0.005
local terms energy: -28.072278
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -35.569549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.569549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.569549 (E_RNA)
where:
Base-Base interactions energy: -12.306
where: short stacking energy: -9.179
Base-Backbone interact. energy: -0.032
local terms energy: -23.230939
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -4.498
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -5.000
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: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -36.492268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.492268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.492268 (E_RNA)
where:
Base-Base interactions energy: -10.872
where: short stacking energy: -10.872
Base-Backbone interact. energy: -0.081
local terms energy: -25.538914
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -1.939
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: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -43.739187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.739187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.739187 (E_RNA)
where:
Base-Base interactions energy: -17.934
where: short stacking energy: -17.934
Base-Backbone interact. energy: -0.000
local terms energy: -25.805113
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -40.281295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.281295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.281295 (E_RNA)
where:
Base-Base interactions energy: -12.825
where: short stacking energy: -11.107
Base-Backbone interact. energy: -0.005
local terms energy: -27.451450
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.019
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -39.278857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.278857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.278857 (E_RNA)
where:
Base-Base interactions energy: -12.303
where: short stacking energy: -11.669
Base-Backbone interact. energy: -0.006
local terms energy: -26.970072
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -39.088612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.088612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.088612 (E_RNA)
where:
Base-Base interactions energy: -15.411
where: short stacking energy: -15.411
Base-Backbone interact. energy: -0.067
local terms energy: -23.609902
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -2.246
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -39.229101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.229101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.229101 (E_RNA)
where:
Base-Base interactions energy: -10.697
where: short stacking energy: -10.697
Base-Backbone interact. energy: -0.007
local terms energy: -28.524794
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -4.913
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: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -51.095998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.095998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.095998 (E_RNA)
where:
Base-Base interactions energy: -20.552
where: short stacking energy: -20.552
Base-Backbone interact. energy: -0.000
local terms energy: -30.544304
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -55.132237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.132237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.132237 (E_RNA)
where:
Base-Base interactions energy: -25.613
where: short stacking energy: -22.911
Base-Backbone interact. energy: -0.032
local terms energy: -29.487250
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -45.566559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.566559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.566559 (E_RNA)
where:
Base-Base interactions energy: -19.926
where: short stacking energy: -19.926
Base-Backbone interact. energy: -0.000
local terms energy: -25.640292
where:
bonds (distance) C4'-P energy: -4.713
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -44.218935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.218935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.218935 (E_RNA)
where:
Base-Base interactions energy: -17.602
where: short stacking energy: -17.602
Base-Backbone interact. energy: -0.005
local terms energy: -26.612606
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -5.024
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -37.270435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.270435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.270435 (E_RNA)
where:
Base-Base interactions energy: -15.883
where: short stacking energy: -15.883
Base-Backbone interact. energy: -0.000
local terms energy: -21.386949
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.717
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -0.598
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -35.145401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.145401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.145401 (E_RNA)
where:
Base-Base interactions energy: -11.203
where: short stacking energy: -11.203
Base-Backbone interact. energy: 0.038
local terms energy: -23.980656
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -4.527
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: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -41.719612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.719612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.719612 (E_RNA)
where:
Base-Base interactions energy: -17.261
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.042
local terms energy: -24.416073
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -4.212
flat angles C4'-P-C4' energy: -4.585
flat angles P-C4'-P energy: -5.715
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: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -38.379670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.379670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.379670 (E_RNA)
where:
Base-Base interactions energy: -12.745
where: short stacking energy: -11.292
Base-Backbone interact. energy: -0.098
local terms energy: -25.536910
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.692
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -42.007005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.007005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.007005 (E_RNA)
where:
Base-Base interactions energy: -16.160
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.001
local terms energy: -25.845472
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -30.875671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.875671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.875671 (E_RNA)
where:
Base-Base interactions energy: -7.885
where: short stacking energy: -7.885
Base-Backbone interact. energy: -0.050
local terms energy: -22.940832
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -46.228762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.228762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.228762 (E_RNA)
where:
Base-Base interactions energy: -19.688
where: short stacking energy: -19.688
Base-Backbone interact. energy: -0.008
local terms energy: -26.532446
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.999
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -4.627
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: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -50.371322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.371322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.371322 (E_RNA)
where:
Base-Base interactions energy: -20.140
where: short stacking energy: -20.140
Base-Backbone interact. energy: -0.022
local terms energy: -30.210127
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.085
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -48.413617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.413617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.413617 (E_RNA)
where:
Base-Base interactions energy: -21.363
where: short stacking energy: -21.363
Base-Backbone interact. energy: -0.000
local terms energy: -27.050460
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -4.819
flat angles P-C4'-P energy: -3.337
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: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -43.628927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.628927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.628927 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.130
local terms energy: -27.128922
where:
bonds (distance) C4'-P energy: -4.999
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.878
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -42.372394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.372394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.372394 (E_RNA)
where:
Base-Base interactions energy: -19.069
where: short stacking energy: -19.069
Base-Backbone interact. energy: -0.071
local terms energy: -23.232197
where:
bonds (distance) C4'-P energy: -3.835
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -3.874
flat angles P-C4'-P energy: -1.918
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -39.004200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.004200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.004200 (E_RNA)
where:
Base-Base interactions energy: -19.962
where: short stacking energy: -14.891
Base-Backbone interact. energy: 0.130
local terms energy: -19.171654
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -4.275
flat angles C4'-P-C4' energy: -2.320
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -36.997781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.997781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.997781 (E_RNA)
where:
Base-Base interactions energy: -14.495
where: short stacking energy: -10.764
Base-Backbone interact. energy: -0.143
local terms energy: -22.360612
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -34.699138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.699138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.699138 (E_RNA)
where:
Base-Base interactions energy: -11.701
where: short stacking energy: -11.515
Base-Backbone interact. energy: -0.040
local terms energy: -22.957625
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -4.505
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: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -36.745443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.745443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.745443 (E_RNA)
where:
Base-Base interactions energy: -9.588
where: short stacking energy: -9.588
Base-Backbone interact. energy: -0.000
local terms energy: -27.157902
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -4.325
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: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -38.335268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.335268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.335268 (E_RNA)
where:
Base-Base interactions energy: -12.014
where: short stacking energy: -12.014
Base-Backbone interact. energy: -0.001
local terms energy: -26.320534
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -49.798805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.798805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.798805 (E_RNA)
where:
Base-Base interactions energy: -20.766
where: short stacking energy: -20.766
Base-Backbone interact. energy: -0.003
local terms energy: -29.029325
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -54.056245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.056245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.056245 (E_RNA)
where:
Base-Base interactions energy: -24.749
where: short stacking energy: -18.806
Base-Backbone interact. energy: -0.000
local terms energy: -29.307450
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -46.996600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.996600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.996600 (E_RNA)
where:
Base-Base interactions energy: -24.273
where: short stacking energy: -24.273
Base-Backbone interact. energy: -0.002
local terms energy: -22.721520
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -1.587
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -47.645443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.645443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.645443 (E_RNA)
where:
Base-Base interactions energy: -17.813
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.000
local terms energy: -29.832202
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -39.288306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.288306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.288306 (E_RNA)
where:
Base-Base interactions energy: -11.281
where: short stacking energy: -11.281
Base-Backbone interact. energy: -0.157
local terms energy: -27.849782
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.820
flat angles P-C4'-P energy: -4.562
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: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -39.711974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.711974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.711974 (E_RNA)
where:
Base-Base interactions energy: -15.141
where: short stacking energy: -13.371
Base-Backbone interact. energy: -0.008
local terms energy: -24.563371
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -2.236
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: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -47.626008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.626008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.626008 (E_RNA)
where:
Base-Base interactions energy: -19.335
where: short stacking energy: -19.335
Base-Backbone interact. energy: -0.000
local terms energy: -28.291014
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -6.554
flat angles C4'-P-C4' energy: -4.058
flat angles P-C4'-P energy: -5.356
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: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -37.662904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.662904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.662904 (E_RNA)
where:
Base-Base interactions energy: -16.668
where: short stacking energy: -12.759
Base-Backbone interact. energy: -0.385
local terms energy: -20.610461
where:
bonds (distance) C4'-P energy: -4.457
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -6.069
flat angles P-C4'-P energy: -3.526
tors. eta vs tors. theta energy: -0.557
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: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -34.879658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.879658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.879658 (E_RNA)
where:
Base-Base interactions energy: -10.490
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.001
local terms energy: -24.388827
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -30.053944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.053944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.053944 (E_RNA)
where:
Base-Base interactions energy: -11.214
where: short stacking energy: -11.214
Base-Backbone interact. energy: -0.104
local terms energy: -18.736012
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -1.897
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -52.364862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.364862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.364862 (E_RNA)
where:
Base-Base interactions energy: -22.829
where: short stacking energy: -22.829
Base-Backbone interact. energy: -0.000
local terms energy: -29.535860
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.790
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -48.091263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.091263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.091263 (E_RNA)
where:
Base-Base interactions energy: -19.433
where: short stacking energy: -15.814
Base-Backbone interact. energy: -0.007
local terms energy: -28.651798
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.958
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -5.634
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: 440
Temperature: 1.000000
Total energy: -46.673320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.673320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.673320 (E_RNA)
where:
Base-Base interactions energy: -19.506
where: short stacking energy: -19.506
Base-Backbone interact. energy: -0.000
local terms energy: -27.167329
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -47.150006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.150006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.150006 (E_RNA)
where:
Base-Base interactions energy: -19.514
where: short stacking energy: -19.514
Base-Backbone interact. energy: -0.054
local terms energy: -27.582108
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -6.013
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -39.776624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.776624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.776624 (E_RNA)
where:
Base-Base interactions energy: -16.274
where: short stacking energy: -16.274
Base-Backbone interact. energy: -0.019
local terms energy: -23.484158
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -2.014
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: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -42.878935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.878935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.878935 (E_RNA)
where:
Base-Base interactions energy: -17.282
where: short stacking energy: -15.426
Base-Backbone interact. energy: -0.015
local terms energy: -25.581368
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -6.494
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -40.734018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.734018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.734018 (E_RNA)
where:
Base-Base interactions energy: -12.758
where: short stacking energy: -12.758
Base-Backbone interact. energy: -0.001
local terms energy: -27.975531
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -38.515169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.515169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.515169 (E_RNA)
where:
Base-Base interactions energy: -12.628
where: short stacking energy: -11.746
Base-Backbone interact. energy: -0.065
local terms energy: -25.822289
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -3.714
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: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -33.548264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.548264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.548264 (E_RNA)
where:
Base-Base interactions energy: -9.722
where: short stacking energy: -9.722
Base-Backbone interact. energy: -0.099
local terms energy: -23.726747
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -4.410
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -35.558379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.558379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.558379 (E_RNA)
where:
Base-Base interactions energy: -18.378
where: short stacking energy: -18.378
Base-Backbone interact. energy: 1.457
local terms energy: -18.637373
where:
bonds (distance) C4'-P energy: -2.672
bonds (distance) P-C4' energy: -6.320
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -1.117
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -58.531436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.531436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.531436 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.000
local terms energy: -30.818708
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -6.262
flat angles C4'-P-C4' energy: -6.969
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -52.490268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.490268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.490268 (E_RNA)
where:
Base-Base interactions energy: -21.378
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.000
local terms energy: -31.112330
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.300
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -55.618744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.618744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.618744 (E_RNA)
where:
Base-Base interactions energy: -24.750
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.000
local terms energy: -30.869124
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.246
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -56.565930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.565930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.565930 (E_RNA)
where:
Base-Base interactions energy: -24.783
where: short stacking energy: -24.783
Base-Backbone interact. energy: -0.000
local terms energy: -31.782853
where:
bonds (distance) C4'-P energy: -5.132
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -8.808
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: 441
Temperature: 1.100000
Total energy: -42.369960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.369960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.369960 (E_RNA)
where:
Base-Base interactions energy: -16.732
where: short stacking energy: -15.980
Base-Backbone interact. energy: -0.404
local terms energy: -25.234067
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.147
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -2.388
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -42.935106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.935106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.935106 (E_RNA)
where:
Base-Base interactions energy: -18.930
where: short stacking energy: -17.164
Base-Backbone interact. energy: -0.000
local terms energy: -24.005207
where:
bonds (distance) C4'-P energy: -4.759
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -37.790946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.790946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.790946 (E_RNA)
where:
Base-Base interactions energy: -13.420
where: short stacking energy: -13.420
Base-Backbone interact. energy: -0.005
local terms energy: -24.366474
where:
bonds (distance) C4'-P energy: -5.105
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -3.677
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: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -35.381432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.381432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.381432 (E_RNA)
where:
Base-Base interactions energy: -11.050
where: short stacking energy: -7.995
Base-Backbone interact. energy: -0.190
local terms energy: -24.141176
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -5.262
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -38.750348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.750348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.750348 (E_RNA)
where:
Base-Base interactions energy: -12.007
where: short stacking energy: -12.007
Base-Backbone interact. energy: -0.010
local terms energy: -26.733311
where:
bonds (distance) C4'-P energy: -5.731
bonds (distance) P-C4' energy: -6.547
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -32.875378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.875378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.875378 (E_RNA)
where:
Base-Base interactions energy: -7.042
where: short stacking energy: -7.042
Base-Backbone interact. energy: -0.002
local terms energy: -25.831228
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -6.011
flat angles P-C4'-P energy: -5.268
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: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -42.098741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.098741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.098741 (E_RNA)
where:
Base-Base interactions energy: -17.654
where: short stacking energy: -17.654
Base-Backbone interact. energy: -0.043
local terms energy: -24.401904
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -56.943065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.943065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.943065 (E_RNA)
where:
Base-Base interactions energy: -23.230
where: short stacking energy: -23.230
Base-Backbone interact. energy: -0.000
local terms energy: -33.712583
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.384
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -53.008471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.008471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.008471 (E_RNA)
where:
Base-Base interactions energy: -22.065
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.000
local terms energy: -30.943077
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -39.243316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.243316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.243316 (E_RNA)
where:
Base-Base interactions energy: -14.313
where: short stacking energy: -14.313
Base-Backbone interact. energy: -0.001
local terms energy: -24.928841
where:
bonds (distance) C4'-P energy: -6.660
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -3.788
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.281
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: 442
Temperature: 1.100000
Total energy: -37.080744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.080744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.080744 (E_RNA)
where:
Base-Base interactions energy: -14.482
where: short stacking energy: -11.753
Base-Backbone interact. energy: -0.198
local terms energy: -22.400892
where:
bonds (distance) C4'-P energy: -5.178
bonds (distance) P-C4' energy: -6.777
flat angles C4'-P-C4' energy: -5.098
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -43.601842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.601842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.601842 (E_RNA)
where:
Base-Base interactions energy: -16.791
where: short stacking energy: -16.791
Base-Backbone interact. energy: -0.035
local terms energy: -26.775829
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -2.634
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -40.680155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.680155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.680155 (E_RNA)
where:
Base-Base interactions energy: -20.013
where: short stacking energy: -9.865
Base-Backbone interact. energy: -0.007
local terms energy: -20.660216
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -2.822
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: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -38.798574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.798574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.798574 (E_RNA)
where:
Base-Base interactions energy: -14.622
where: short stacking energy: -14.622
Base-Backbone interact. energy: -0.001
local terms energy: -24.175119
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -4.152
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -35.113124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.113124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.113124 (E_RNA)
where:
Base-Base interactions energy: -10.626
where: short stacking energy: -8.505
Base-Backbone interact. energy: -0.018
local terms energy: -24.468510
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -35.312342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.312342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.312342 (E_RNA)
where:
Base-Base interactions energy: -9.825
where: short stacking energy: -7.507
Base-Backbone interact. energy: -0.029
local terms energy: -25.458630
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -3.145
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: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -52.217735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.217735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.217735 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -21.405
Base-Backbone interact. energy: -0.000
local terms energy: -30.812272
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.676
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -43.196509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.196509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.196509 (E_RNA)
where:
Base-Base interactions energy: -17.623
where: short stacking energy: -17.623
Base-Backbone interact. energy: -0.012
local terms energy: -25.561808
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -51.781037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.781037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.781037 (E_RNA)
where:
Base-Base interactions energy: -21.225
where: short stacking energy: -17.130
Base-Backbone interact. energy: -0.328
local terms energy: -30.228322
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -42.818613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.818613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.818613 (E_RNA)
where:
Base-Base interactions energy: -17.650
where: short stacking energy: -17.128
Base-Backbone interact. energy: -0.745
local terms energy: -24.424222
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -38.188027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.188027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.188027 (E_RNA)
where:
Base-Base interactions energy: -8.819
where: short stacking energy: -8.819
Base-Backbone interact. energy: -0.001
local terms energy: -29.368849
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.566
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -4.471
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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -35.275261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.275261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.275261 (E_RNA)
where:
Base-Base interactions energy: -14.695
where: short stacking energy: -14.695
Base-Backbone interact. energy: -0.001
local terms energy: -20.579166
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.356
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -40.831438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.831438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.831438 (E_RNA)
where:
Base-Base interactions energy: -15.292
where: short stacking energy: -15.292
Base-Backbone interact. energy: -0.047
local terms energy: -25.492428
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -5.228
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: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -33.654212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.654212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.654212 (E_RNA)
where:
Base-Base interactions energy: -9.467
where: short stacking energy: -8.819
Base-Backbone interact. energy: -0.884
local terms energy: -23.302447
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -5.204
flat angles P-C4'-P energy: -3.151
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: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -33.925541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.925541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.925541 (E_RNA)
where:
Base-Base interactions energy: -13.209
where: short stacking energy: -13.209
Base-Backbone interact. energy: -0.037
local terms energy: -20.679425
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -2.656
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: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -37.591025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.591025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.591025 (E_RNA)
where:
Base-Base interactions energy: -14.346
where: short stacking energy: -14.346
Base-Backbone interact. energy: -0.080
local terms energy: -23.165140
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -3.709
flat angles C4'-P-C4' energy: -5.300
flat angles P-C4'-P energy: -4.976
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: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -53.482214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.482214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.482214 (E_RNA)
where:
Base-Base interactions energy: -21.869
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.000
local terms energy: -31.613397
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -50.089611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.089611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.089611 (E_RNA)
where:
Base-Base interactions energy: -22.080
where: short stacking energy: -19.544
Base-Backbone interact. energy: -0.005
local terms energy: -28.004831
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -4.035
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: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -57.654814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.654814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.654814 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.000
local terms energy: -31.112918
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -5.818
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -40.661415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.661415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.661415 (E_RNA)
where:
Base-Base interactions energy: -17.122
where: short stacking energy: -17.122
Base-Backbone interact. energy: -0.030
local terms energy: -23.509481
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -5.542
flat angles P-C4'-P energy: -2.426
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: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -43.300864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.300864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.300864 (E_RNA)
where:
Base-Base interactions energy: -15.620
where: short stacking energy: -15.620
Base-Backbone interact. energy: -0.000
local terms energy: -27.680251
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -3.221
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: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -37.683791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.683791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.683791 (E_RNA)
where:
Base-Base interactions energy: -14.947
where: short stacking energy: -14.695
Base-Backbone interact. energy: -0.036
local terms energy: -22.700419
where:
bonds (distance) C4'-P energy: -3.728
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -39.567924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.567924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.567924 (E_RNA)
where:
Base-Base interactions energy: -18.382
where: short stacking energy: -18.382
Base-Backbone interact. energy: -0.006
local terms energy: -21.180107
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.989
flat angles P-C4'-P energy: -0.915
tors. eta vs tors. theta energy: -5.217
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -43.498603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.498603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.498603 (E_RNA)
where:
Base-Base interactions energy: -21.100
where: short stacking energy: -16.239
Base-Backbone interact. energy: -0.374
local terms energy: -22.025336
where:
bonds (distance) C4'-P energy: -4.506
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -3.903
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -36.199290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.199290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.199290 (E_RNA)
where:
Base-Base interactions energy: -14.818
where: short stacking energy: -14.818
Base-Backbone interact. energy: -0.165
local terms energy: -21.216006
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -33.350198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.350198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.350198 (E_RNA)
where:
Base-Base interactions energy: -9.118
where: short stacking energy: -9.118
Base-Backbone interact. energy: -0.000
local terms energy: -24.231995
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -53.129749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.129749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.129749 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -24.666
Base-Backbone interact. energy: -0.001
local terms energy: -27.672393
where:
bonds (distance) C4'-P energy: -4.483
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -5.693
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -51.360916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.360916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.360916 (E_RNA)
where:
Base-Base interactions energy: -22.155
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.000
local terms energy: -29.205544
where:
bonds (distance) C4'-P energy: -4.518
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -6.695
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: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -51.943561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.943561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.943561 (E_RNA)
where:
Base-Base interactions energy: -22.997
where: short stacking energy: -22.997
Base-Backbone interact. energy: -0.000
local terms energy: -28.947040
where:
bonds (distance) C4'-P energy: -5.718
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.207
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -48.108847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.108847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.108847 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.000
local terms energy: -24.981294
where:
bonds (distance) C4'-P energy: -4.324
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -40.596358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.596358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.596358 (E_RNA)
where:
Base-Base interactions energy: -15.023
where: short stacking energy: -15.023
Base-Backbone interact. energy: -0.497
local terms energy: -25.076728
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -6.020
flat angles P-C4'-P energy: -4.236
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: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -35.944011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.944011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.944011 (E_RNA)
where:
Base-Base interactions energy: -12.338
where: short stacking energy: -12.338
Base-Backbone interact. energy: -0.207
local terms energy: -23.399162
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -36.763963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.763963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.763963 (E_RNA)
where:
Base-Base interactions energy: -15.688
where: short stacking energy: -15.688
Base-Backbone interact. energy: -0.001
local terms energy: -21.075732
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -3.841
flat angles P-C4'-P energy: -2.523
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: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -41.282577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.282577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.282577 (E_RNA)
where:
Base-Base interactions energy: -14.817
where: short stacking energy: -14.817
Base-Backbone interact. energy: -0.000
local terms energy: -26.465447
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -3.645
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -39.041164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.041164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.041164 (E_RNA)
where:
Base-Base interactions energy: -17.256
where: short stacking energy: -14.902
Base-Backbone interact. energy: -0.351
local terms energy: -21.433877
where:
bonds (distance) C4'-P energy: -2.611
bonds (distance) P-C4' energy: -6.786
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -33.995783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.995783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.995783 (E_RNA)
where:
Base-Base interactions energy: -13.515
where: short stacking energy: -11.950
Base-Backbone interact. energy: -0.000
local terms energy: -20.480259
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -48.991724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.991724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.991724 (E_RNA)
where:
Base-Base interactions energy: -23.935
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.000
local terms energy: -25.057156
where:
bonds (distance) C4'-P energy: -4.287
bonds (distance) P-C4' energy: -5.505
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -52.128335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.128335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.128335 (E_RNA)
where:
Base-Base interactions energy: -24.153
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.002
local terms energy: -27.972475
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.136
flat angles P-C4'-P energy: -3.823
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: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -47.432549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.432549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.432549 (E_RNA)
where:
Base-Base interactions energy: -18.139
where: short stacking energy: -18.139
Base-Backbone interact. energy: -0.003
local terms energy: -29.289979
where:
bonds (distance) C4'-P energy: -5.413
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -3.367
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: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -48.043176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.043176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.043176 (E_RNA)
where:
Base-Base interactions energy: -20.099
where: short stacking energy: -20.099
Base-Backbone interact. energy: -0.000
local terms energy: -27.944332
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -51.334485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.334485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.334485 (E_RNA)
where:
Base-Base interactions energy: -20.278
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.000
local terms energy: -31.056030
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -5.958
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: 446
Temperature: 1.150000
Total energy: -36.377322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.377322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.377322 (E_RNA)
where:
Base-Base interactions energy: -11.405
where: short stacking energy: -11.405
Base-Backbone interact. energy: -0.007
local terms energy: -24.965132
where:
bonds (distance) C4'-P energy: -3.620
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -36.973408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.973408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.973408 (E_RNA)
where:
Base-Base interactions energy: -18.837
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.023
local terms energy: -18.112955
where:
bonds (distance) C4'-P energy: -2.386
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -1.372
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: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -39.478063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.478063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.478063 (E_RNA)
where:
Base-Base interactions energy: -11.268
where: short stacking energy: -11.268
Base-Backbone interact. energy: -0.000
local terms energy: -28.210105
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -35.751477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.751477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.751477 (E_RNA)
where:
Base-Base interactions energy: -13.763
where: short stacking energy: -10.014
Base-Backbone interact. energy: 1.199
local terms energy: -23.188127
where:
bonds (distance) C4'-P energy: -5.186
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -5.828
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -32.824816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.824816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.824816 (E_RNA)
where:
Base-Base interactions energy: -12.787
where: short stacking energy: -9.570
Base-Backbone interact. energy: -0.001
local terms energy: -20.037188
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -3.524
flat angles P-C4'-P energy: -3.565
tors. eta vs tors. theta energy: -2.083
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: 447
Temperature: 0.900000
Total energy: -55.232141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.232141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.232141 (E_RNA)
where:
Base-Base interactions energy: -23.364
where: short stacking energy: -23.364
Base-Backbone interact. energy: -0.000
local terms energy: -31.867920
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -50.122029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.122029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.122029 (E_RNA)
where:
Base-Base interactions energy: -22.308
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.066
local terms energy: -27.748572
where:
bonds (distance) C4'-P energy: -3.753
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -50.035313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.035313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.035313 (E_RNA)
where:
Base-Base interactions energy: -22.554
where: short stacking energy: -19.923
Base-Backbone interact. energy: -0.001
local terms energy: -27.480270
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -43.599131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.599131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.599131 (E_RNA)
where:
Base-Base interactions energy: -16.628
where: short stacking energy: -16.628
Base-Backbone interact. energy: -0.079
local terms energy: -26.892250
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -46.204270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.204270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.204270 (E_RNA)
where:
Base-Base interactions energy: -18.500
where: short stacking energy: -14.174
Base-Backbone interact. energy: -0.166
local terms energy: -27.538388
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -39.474870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.474870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.474870 (E_RNA)
where:
Base-Base interactions energy: -15.046
where: short stacking energy: -15.046
Base-Backbone interact. energy: 0.543
local terms energy: -24.972076
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -2.997
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -2.766
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: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -37.661596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.661596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.661596 (E_RNA)
where:
Base-Base interactions energy: -15.014
where: short stacking energy: -15.014
Base-Backbone interact. energy: -0.001
local terms energy: -22.646866
where:
bonds (distance) C4'-P energy: -5.674
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -0.570
tors. eta vs tors. theta energy: -3.695
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -34.482829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.482829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.482829 (E_RNA)
where:
Base-Base interactions energy: -8.846
where: short stacking energy: -7.745
Base-Backbone interact. energy: -0.003
local terms energy: -25.633823
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -37.378531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.378531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.378531 (E_RNA)
where:
Base-Base interactions energy: -12.463
where: short stacking energy: -11.023
Base-Backbone interact. energy: -0.008
local terms energy: -24.907865
where:
bonds (distance) C4'-P energy: -4.092
bonds (distance) P-C4' energy: -6.300
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -5.232
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -38.245590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.245590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.245590 (E_RNA)
where:
Base-Base interactions energy: -15.669
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.057
local terms energy: -22.519924
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -3.603
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -48.203233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.203233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.203233 (E_RNA)
where:
Base-Base interactions energy: -20.079
where: short stacking energy: -18.304
Base-Backbone interact. energy: -0.007
local terms energy: -28.116901
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -3.763
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: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -42.280731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.280731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.280731 (E_RNA)
where:
Base-Base interactions energy: -17.275
where: short stacking energy: -17.275
Base-Backbone interact. energy: -0.125
local terms energy: -24.880644
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.402
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -55.023187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.023187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.023187 (E_RNA)
where:
Base-Base interactions energy: -24.437
where: short stacking energy: -24.437
Base-Backbone interact. energy: -0.001
local terms energy: -30.585400
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -5.885
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: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -49.133547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.133547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.133547 (E_RNA)
where:
Base-Base interactions energy: -21.961
where: short stacking energy: -20.490
Base-Backbone interact. energy: -0.004
local terms energy: -27.168122
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -4.591
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: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -44.072763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.072763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.072763 (E_RNA)
where:
Base-Base interactions energy: -16.773
where: short stacking energy: -16.773
Base-Backbone interact. energy: -0.000
local terms energy: -27.299155
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -37.773612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.773612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.773612 (E_RNA)
where:
Base-Base interactions energy: -15.139
where: short stacking energy: -13.353
Base-Backbone interact. energy: -0.001
local terms energy: -22.634270
where:
bonds (distance) C4'-P energy: -4.246
bonds (distance) P-C4' energy: -6.075
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -49.153243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.153243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.153243 (E_RNA)
where:
Base-Base interactions energy: -23.756
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.000
local terms energy: -25.397427
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -40.137098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.137098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.137098 (E_RNA)
where:
Base-Base interactions energy: -20.063
where: short stacking energy: -18.176
Base-Backbone interact. energy: 1.187
local terms energy: -21.261039
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -1.000
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -35.405196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.405196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.405196 (E_RNA)
where:
Base-Base interactions energy: -14.731
where: short stacking energy: -13.591
Base-Backbone interact. energy: -0.790
local terms energy: -19.884853
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -5.261
flat angles C4'-P-C4' energy: -5.174
flat angles P-C4'-P energy: -1.890
tors. eta vs tors. theta energy: -0.366
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -31.906356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.906356 (E_RNA)
where:
Base-Base interactions energy: -10.642
where: short stacking energy: -9.562
Base-Backbone interact. energy: -0.688
local terms energy: -20.576532
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: 2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -50.139204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.139204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.139204 (E_RNA)
where:
Base-Base interactions energy: -21.872
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.069
local terms energy: -28.197425
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -41.538004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.538004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.538004 (E_RNA)
where:
Base-Base interactions energy: -17.029
where: short stacking energy: -16.445
Base-Backbone interact. energy: 1.539
local terms energy: -26.047932
where:
bonds (distance) C4'-P energy: -5.658
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -50.408009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.408009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.408009 (E_RNA)
where:
Base-Base interactions energy: -20.331
where: short stacking energy: -20.331
Base-Backbone interact. energy: -0.000
local terms energy: -30.077028
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -5.354
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: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -45.828699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.828699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.828699 (E_RNA)
where:
Base-Base interactions energy: -18.300
where: short stacking energy: -16.667
Base-Backbone interact. energy: 0.123
local terms energy: -27.652593
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -4.647
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -44.631604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.631604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.631604 (E_RNA)
where:
Base-Base interactions energy: -19.472
where: short stacking energy: -19.472
Base-Backbone interact. energy: -0.000
local terms energy: -25.159358
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -4.014
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -39.479198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.479198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.479198 (E_RNA)
where:
Base-Base interactions energy: -15.198
where: short stacking energy: -15.198
Base-Backbone interact. energy: -0.003
local terms energy: -24.278545
where:
bonds (distance) C4'-P energy: -4.714
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -41.371656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.371656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.371656 (E_RNA)
where:
Base-Base interactions energy: -17.873
where: short stacking energy: -17.873
Base-Backbone interact. energy: -0.582
local terms energy: -22.916595
where:
bonds (distance) C4'-P energy: -2.680
bonds (distance) P-C4' energy: -4.994
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -4.352
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: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -36.876929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.876929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.876929 (E_RNA)
where:
Base-Base interactions energy: -13.745
where: short stacking energy: -13.685
Base-Backbone interact. energy: -0.003
local terms energy: -23.128930
where:
bonds (distance) C4'-P energy: -4.022
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.069
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -4.647
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -37.035816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.035816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.035816 (E_RNA)
where:
Base-Base interactions energy: -14.159
where: short stacking energy: -13.702
Base-Backbone interact. energy: -0.001
local terms energy: -22.875898
where:
bonds (distance) C4'-P energy: -5.885
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -4.912
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -33.626934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.626934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.626934 (E_RNA)
where:
Base-Base interactions energy: -11.855
where: short stacking energy: -11.855
Base-Backbone interact. energy: -0.060
local terms energy: -21.711437
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -0.958
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -48.834608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.834608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.834608 (E_RNA)
where:
Base-Base interactions energy: -19.968
where: short stacking energy: -19.968
Base-Backbone interact. energy: -0.003
local terms energy: -28.863843
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.016
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -57.832737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.832737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.832737 (E_RNA)
where:
Base-Base interactions energy: -27.590
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.000
local terms energy: -30.242994
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -1.935
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -43.159620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.159620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.159620 (E_RNA)
where:
Base-Base interactions energy: -15.500
where: short stacking energy: -15.500
Base-Backbone interact. energy: -0.000
local terms energy: -27.659462
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -51.208543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.208543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.208543 (E_RNA)
where:
Base-Base interactions energy: -22.522
where: short stacking energy: -22.522
Base-Backbone interact. energy: -0.000
local terms energy: -28.686233
where:
bonds (distance) C4'-P energy: -6.428
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -4.584
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: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -42.382771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.382771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.382771 (E_RNA)
where:
Base-Base interactions energy: -17.465
where: short stacking energy: -17.465
Base-Backbone interact. energy: -0.001
local terms energy: -24.916709
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -3.643
flat angles P-C4'-P energy: -3.516
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: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -38.207181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.207181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.207181 (E_RNA)
where:
Base-Base interactions energy: -10.393
where: short stacking energy: -10.393
Base-Backbone interact. energy: -0.016
local terms energy: -27.798660
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.882
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -43.084695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.084695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.084695 (E_RNA)
where:
Base-Base interactions energy: -15.336
where: short stacking energy: -15.336
Base-Backbone interact. energy: -0.000
local terms energy: -27.748881
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -39.811106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.811106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.811106 (E_RNA)
where:
Base-Base interactions energy: -12.519
where: short stacking energy: -12.950
Base-Backbone interact. energy: -0.002
local terms energy: -27.290286
where:
bonds (distance) C4'-P energy: -5.434
bonds (distance) P-C4' energy: -6.762
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -34.385275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.385275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.385275 (E_RNA)
where:
Base-Base interactions energy: -12.730
where: short stacking energy: -12.730
Base-Backbone interact. energy: -0.000
local terms energy: -21.655356
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -2.730
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -32.557757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.557757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.557757 (E_RNA)
where:
Base-Base interactions energy: -10.184
where: short stacking energy: -8.440
Base-Backbone interact. energy: 0.201
local terms energy: -22.574669
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -52.807470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.807470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.807470 (E_RNA)
where:
Base-Base interactions energy: -23.379
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.008
local terms energy: -29.421241
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -6.326
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -43.455778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.455778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.455778 (E_RNA)
where:
Base-Base interactions energy: -15.773
where: short stacking energy: -13.632
Base-Backbone interact. energy: -0.098
local terms energy: -27.584708
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -3.949
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -38.942335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.942335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.942335 (E_RNA)
where:
Base-Base interactions energy: -14.608
where: short stacking energy: -14.608
Base-Backbone interact. energy: -0.000
local terms energy: -24.334035
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -3.530
tors. eta vs tors. theta energy: -1.021
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: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -48.608139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.608139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.608139 (E_RNA)
where:
Base-Base interactions energy: -19.546
where: short stacking energy: -19.546
Base-Backbone interact. energy: -0.000
local terms energy: -29.062451
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -6.057
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -4.677
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: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -44.915502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.915502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.915502 (E_RNA)
where:
Base-Base interactions energy: -18.919
where: short stacking energy: -18.919
Base-Backbone interact. energy: -0.026
local terms energy: -25.970397
where:
bonds (distance) C4'-P energy: -3.873
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -46.437766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.437766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.437766 (E_RNA)
where:
Base-Base interactions energy: -19.993
where: short stacking energy: -19.993
Base-Backbone interact. energy: -0.000
local terms energy: -26.445102
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -4.270
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -42.110574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.110574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.110574 (E_RNA)
where:
Base-Base interactions energy: -14.748
where: short stacking energy: -14.748
Base-Backbone interact. energy: -0.000
local terms energy: -27.361916
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.626
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -35.021557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.021557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.021557 (E_RNA)
where:
Base-Base interactions energy: -12.323
where: short stacking energy: -9.170
Base-Backbone interact. energy: -0.013
local terms energy: -22.685330
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -37.494304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.494304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.494304 (E_RNA)
where:
Base-Base interactions energy: -14.285
where: short stacking energy: -14.285
Base-Backbone interact. energy: -0.782
local terms energy: -22.427206
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -3.647
flat angles P-C4'-P energy: -1.952
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -33.765932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.765932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.765932 (E_RNA)
where:
Base-Base interactions energy: -10.654
where: short stacking energy: -9.986
Base-Backbone interact. energy: -0.003
local terms energy: -23.108473
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.370
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -47.036914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.036914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.036914 (E_RNA)
where:
Base-Base interactions energy: -20.259
where: short stacking energy: -20.259
Base-Backbone interact. energy: -0.000
local terms energy: -26.777940
where:
bonds (distance) C4'-P energy: -3.889
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -5.794
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -49.212849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.212849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.212849 (E_RNA)
where:
Base-Base interactions energy: -23.164
where: short stacking energy: -23.164
Base-Backbone interact. energy: -0.000
local terms energy: -26.048308
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -2.120
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -43.407107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.407107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.407107 (E_RNA)
where:
Base-Base interactions energy: -18.122
where: short stacking energy: -18.122
Base-Backbone interact. energy: -0.030
local terms energy: -25.254850
where:
bonds (distance) C4'-P energy: -6.754
bonds (distance) P-C4' energy: -4.131
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -46.513872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.513872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.513872 (E_RNA)
where:
Base-Base interactions energy: -20.069
where: short stacking energy: -17.425
Base-Backbone interact. energy: -0.000
local terms energy: -26.445037
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -3.898
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: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -47.558411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.558411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.558411 (E_RNA)
where:
Base-Base interactions energy: -19.698
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.001
local terms energy: -27.859139
where:
bonds (distance) C4'-P energy: -5.973
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -48.329202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.329202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.329202 (E_RNA)
where:
Base-Base interactions energy: -17.504
where: short stacking energy: -17.504
Base-Backbone interact. energy: -0.000
local terms energy: -30.825576
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -35.604980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.604980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.604980 (E_RNA)
where:
Base-Base interactions energy: -9.423
where: short stacking energy: -7.483
Base-Backbone interact. energy: -0.007
local terms energy: -26.174417
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -7.069
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -3.558
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: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -35.892113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.892113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.892113 (E_RNA)
where:
Base-Base interactions energy: -12.421
where: short stacking energy: -11.075
Base-Backbone interact. energy: -0.295
local terms energy: -23.176911
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -4.542
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: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -32.467440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.467440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.467440 (E_RNA)
where:
Base-Base interactions energy: -8.711
where: short stacking energy: -8.711
Base-Backbone interact. energy: -0.100
local terms energy: -23.656612
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -3.147
flat angles P-C4'-P energy: -6.053
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: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -38.779938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.779938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.779938 (E_RNA)
where:
Base-Base interactions energy: -12.921
where: short stacking energy: -13.145
Base-Backbone interact. energy: -0.001
local terms energy: -25.858526
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -4.418
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: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -50.823416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.823416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.823416 (E_RNA)
where:
Base-Base interactions energy: -23.658
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.502
local terms energy: -26.662806
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -2.145
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -48.142070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.142070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.142070 (E_RNA)
where:
Base-Base interactions energy: -22.076
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.003
local terms energy: -26.063166
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -4.527
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: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -43.224144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.224144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.224144 (E_RNA)
where:
Base-Base interactions energy: -15.984
where: short stacking energy: -15.984
Base-Backbone interact. energy: -0.000
local terms energy: -27.240032
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -46.311431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.311431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.311431 (E_RNA)
where:
Base-Base interactions energy: -18.422
where: short stacking energy: -18.422
Base-Backbone interact. energy: -0.002
local terms energy: -27.888001
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -35.194663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.194663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.194663 (E_RNA)
where:
Base-Base interactions energy: -12.635
where: short stacking energy: -12.822
Base-Backbone interact. energy: -0.148
local terms energy: -22.412283
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -4.020
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -43.893937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.893937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.893937 (E_RNA)
where:
Base-Base interactions energy: -16.544
where: short stacking energy: -16.544
Base-Backbone interact. energy: -0.000
local terms energy: -27.349844
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -40.779974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.779974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.779974 (E_RNA)
where:
Base-Base interactions energy: -16.151
where: short stacking energy: -16.151
Base-Backbone interact. energy: -0.000
local terms energy: -24.628456
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -2.732
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -34.030381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.030381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.030381 (E_RNA)
where:
Base-Base interactions energy: -13.741
where: short stacking energy: -11.289
Base-Backbone interact. energy: -0.025
local terms energy: -20.264108
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -5.692
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -36.863324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.863324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.863324 (E_RNA)
where:
Base-Base interactions energy: -11.549
where: short stacking energy: -11.549
Base-Backbone interact. energy: -0.000
local terms energy: -25.313759
where:
bonds (distance) C4'-P energy: -5.583
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.518
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -31.154319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.154319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.154319 (E_RNA)
where:
Base-Base interactions energy: -9.511
where: short stacking energy: -9.511
Base-Backbone interact. energy: 0.514
local terms energy: -22.157140
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: 0.421
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -47.922226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.922226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.922226 (E_RNA)
where:
Base-Base interactions energy: -17.829
where: short stacking energy: -17.829
Base-Backbone interact. energy: -0.024
local terms energy: -30.069642
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -56.556941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.556941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.556941 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.000
local terms energy: -29.066512
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -3.107
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -8.710
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: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -44.541320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.541320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.541320 (E_RNA)
where:
Base-Base interactions energy: -21.041
where: short stacking energy: -20.392
Base-Backbone interact. energy: 0.226
local terms energy: -23.726577
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -41.463764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.463764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.463764 (E_RNA)
where:
Base-Base interactions energy: -13.238
where: short stacking energy: -13.238
Base-Backbone interact. energy: -0.063
local terms energy: -28.162523
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -8.021
flat angles C4'-P-C4' energy: -6.074
flat angles P-C4'-P energy: -5.305
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -41.261325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.261325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.261325 (E_RNA)
where:
Base-Base interactions energy: -17.694
where: short stacking energy: -16.936
Base-Backbone interact. energy: -0.080
local terms energy: -23.488011
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -5.107
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -38.732991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.732991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.732991 (E_RNA)
where:
Base-Base interactions energy: -13.931
where: short stacking energy: -13.931
Base-Backbone interact. energy: -0.000
local terms energy: -24.801556
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -38.620715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.620715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.620715 (E_RNA)
where:
Base-Base interactions energy: -14.377
where: short stacking energy: -12.127
Base-Backbone interact. energy: -0.002
local terms energy: -24.242341
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.057
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -33.299487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.299487 (E_RNA)
where:
Base-Base interactions energy: -11.178
where: short stacking energy: -11.178
Base-Backbone interact. energy: -0.000
local terms energy: -22.121184
where:
bonds (distance) C4'-P energy: -5.609
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -0.339
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: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -44.439926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.439926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.439926 (E_RNA)
where:
Base-Base interactions energy: -21.078
where: short stacking energy: -21.078
Base-Backbone interact. energy: -0.001
local terms energy: -23.360831
where:
bonds (distance) C4'-P energy: -4.020
bonds (distance) P-C4' energy: -5.053
flat angles C4'-P-C4' energy: -5.374
flat angles P-C4'-P energy: -1.286
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -37.205080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.205080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.205080 (E_RNA)
where:
Base-Base interactions energy: -12.973
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.202
local terms energy: -24.029727
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -61.522832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.522832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.522832 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.000
local terms energy: -33.602468
where:
bonds (distance) C4'-P energy: -6.312
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -6.353
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -9.658
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: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -46.055462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.055462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.055462 (E_RNA)
where:
Base-Base interactions energy: -16.165
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.000
local terms energy: -29.890898
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -4.691
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: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -46.052697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.052697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.052697 (E_RNA)
where:
Base-Base interactions energy: -21.865
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.006
local terms energy: -24.182311
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -4.380
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -47.526746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.526746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.526746 (E_RNA)
where:
Base-Base interactions energy: -20.784
where: short stacking energy: -20.784
Base-Backbone interact. energy: -0.000
local terms energy: -26.742632
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -4.947
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: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -38.516864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.516864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.516864 (E_RNA)
where:
Base-Base interactions energy: -12.727
where: short stacking energy: -12.727
Base-Backbone interact. energy: -0.039
local terms energy: -25.751312
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -6.252
flat angles C4'-P-C4' energy: -6.654
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -3.484
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -41.767991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.767991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.767991 (E_RNA)
where:
Base-Base interactions energy: -19.845
where: short stacking energy: -15.618
Base-Backbone interact. energy: -0.104
local terms energy: -21.818942
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -41.936395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.936395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.936395 (E_RNA)
where:
Base-Base interactions energy: -14.048
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.078
local terms energy: -27.809907
where:
bonds (distance) C4'-P energy: -4.788
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -42.930509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.930509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.930509 (E_RNA)
where:
Base-Base interactions energy: -15.964
where: short stacking energy: -14.380
Base-Backbone interact. energy: -0.000
local terms energy: -26.965901
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.264
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -4.525
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -34.267656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.267656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.267656 (E_RNA)
where:
Base-Base interactions energy: -11.221
where: short stacking energy: -11.221
Base-Backbone interact. energy: -0.021
local terms energy: -23.025723
where:
bonds (distance) C4'-P energy: -4.137
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.239
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -38.876847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.876847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.876847 (E_RNA)
where:
Base-Base interactions energy: -17.893
where: short stacking energy: -17.893
Base-Backbone interact. energy: -0.000
local terms energy: -20.983607
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -4.472
flat angles C4'-P-C4' energy: -2.982
flat angles P-C4'-P energy: -1.708
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -50.194837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.194837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.194837 (E_RNA)
where:
Base-Base interactions energy: -21.659
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.000
local terms energy: -28.535274
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -6.699
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -43.972599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.972599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.972599 (E_RNA)
where:
Base-Base interactions energy: -14.113
where: short stacking energy: -12.916
Base-Backbone interact. energy: -0.189
local terms energy: -29.670086
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -50.810561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.810561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.810561 (E_RNA)
where:
Base-Base interactions energy: -23.743
where: short stacking energy: -23.743
Base-Backbone interact. energy: -0.000
local terms energy: -27.067103
where:
bonds (distance) C4'-P energy: -5.537
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -2.993
flat angles P-C4'-P energy: -3.079
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: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -40.599850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.599850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.599850 (E_RNA)
where:
Base-Base interactions energy: -13.290
where: short stacking energy: -11.920
Base-Backbone interact. energy: -0.005
local terms energy: -27.304734
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -41.271839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.271839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.271839 (E_RNA)
where:
Base-Base interactions energy: -16.265
where: short stacking energy: -14.987
Base-Backbone interact. energy: -0.001
local terms energy: -25.006141
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -5.424
flat angles P-C4'-P energy: -3.276
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -41.338508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.338508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.338508 (E_RNA)
where:
Base-Base interactions energy: -16.379
where: short stacking energy: -11.793
Base-Backbone interact. energy: -0.066
local terms energy: -24.893159
where:
bonds (distance) C4'-P energy: -4.957
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -1.552
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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -36.172189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.172189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.172189 (E_RNA)
where:
Base-Base interactions energy: -17.911
where: short stacking energy: -16.416
Base-Backbone interact. energy: -0.199
local terms energy: -18.062083
where:
bonds (distance) C4'-P energy: -4.552
bonds (distance) P-C4' energy: -2.514
flat angles C4'-P-C4' energy: -3.046
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -2.797
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: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -40.070533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.070533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.070533 (E_RNA)
where:
Base-Base interactions energy: -20.032
where: short stacking energy: -18.138
Base-Backbone interact. energy: -0.003
local terms energy: -20.035537
where:
bonds (distance) C4'-P energy: -2.067
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -36.846003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.846003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.846003 (E_RNA)
where:
Base-Base interactions energy: -10.263
where: short stacking energy: -10.263
Base-Backbone interact. energy: -0.008
local terms energy: -26.575124
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -34.328069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.328069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.328069 (E_RNA)
where:
Base-Base interactions energy: -14.362
where: short stacking energy: -12.243
Base-Backbone interact. energy: -0.092
local terms energy: -19.874225
where:
bonds (distance) C4'-P energy: -6.213
bonds (distance) P-C4' energy: -3.939
flat angles C4'-P-C4' energy: -5.026
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -53.430685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.430685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.430685 (E_RNA)
where:
Base-Base interactions energy: -22.494
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.000
local terms energy: -30.936255
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -47.163075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.163075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.163075 (E_RNA)
where:
Base-Base interactions energy: -24.713
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.009
local terms energy: -22.440924
where:
bonds (distance) C4'-P energy: -4.767
bonds (distance) P-C4' energy: -5.688
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -52.025481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.025481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.025481 (E_RNA)
where:
Base-Base interactions energy: -26.986
where: short stacking energy: -23.031
Base-Backbone interact. energy: -0.001
local terms energy: -25.038570
where:
bonds (distance) C4'-P energy: -5.087
bonds (distance) P-C4' energy: -4.777
flat angles C4'-P-C4' energy: -6.251
flat angles P-C4'-P energy: -4.790
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: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -42.757506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.757506 (E_RNA)
where:
Base-Base interactions energy: -17.855
where: short stacking energy: -17.855
Base-Backbone interact. energy: -0.001
local terms energy: -24.901956
where:
bonds (distance) C4'-P energy: -5.318
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -44.907529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.907529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.907529 (E_RNA)
where:
Base-Base interactions energy: -17.052
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.000
local terms energy: -27.855492
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -42.845441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.845441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.845441 (E_RNA)
where:
Base-Base interactions energy: -19.093
where: short stacking energy: -19.093
Base-Backbone interact. energy: -0.154
local terms energy: -23.598303
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -44.419228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.419228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.419228 (E_RNA)
where:
Base-Base interactions energy: -14.818
where: short stacking energy: -14.818
Base-Backbone interact. energy: -0.000
local terms energy: -29.601232
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -5.679
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: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -35.681880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.681880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.681880 (E_RNA)
where:
Base-Base interactions energy: -12.674
where: short stacking energy: -12.674
Base-Backbone interact. energy: -0.001
local terms energy: -23.006302
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -38.433043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.433043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.433043 (E_RNA)
where:
Base-Base interactions energy: -11.183
where: short stacking energy: -11.183
Base-Backbone interact. energy: -0.000
local terms energy: -27.249641
where:
bonds (distance) C4'-P energy: -5.335
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -3.487
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -33.959771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.959771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.959771 (E_RNA)
where:
Base-Base interactions energy: -13.726
where: short stacking energy: -13.726
Base-Backbone interact. energy: -0.006
local terms energy: -20.228175
where:
bonds (distance) C4'-P energy: -3.951
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -3.766
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -49.517082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.517082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.517082 (E_RNA)
where:
Base-Base interactions energy: -20.102
where: short stacking energy: -20.102
Base-Backbone interact. energy: -0.000
local terms energy: -29.415064
where:
bonds (distance) C4'-P energy: -4.039
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -54.416307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.416307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.416307 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.000
local terms energy: -26.908045
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -37.906793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.906793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.906793 (E_RNA)
where:
Base-Base interactions energy: -15.165
where: short stacking energy: -14.304
Base-Backbone interact. energy: -0.191
local terms energy: -22.550224
where:
bonds (distance) C4'-P energy: -4.108
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.896
flat angles P-C4'-P energy: -3.304
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: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -36.310675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.310675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.310675 (E_RNA)
where:
Base-Base interactions energy: -11.547
where: short stacking energy: -10.247
Base-Backbone interact. energy: -0.365
local terms energy: -24.398998
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -4.560
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -0.809
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -41.606554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.606554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.606554 (E_RNA)
where:
Base-Base interactions energy: -18.280
where: short stacking energy: -18.280
Base-Backbone interact. energy: -0.007
local terms energy: -23.319771
where:
bonds (distance) C4'-P energy: -2.238
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -6.704
flat angles P-C4'-P energy: -5.331
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: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -38.109910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.109910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.109910 (E_RNA)
where:
Base-Base interactions energy: -13.884
where: short stacking energy: -12.671
Base-Backbone interact. energy: -0.002
local terms energy: -24.224233
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -37.383244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.383244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.383244 (E_RNA)
where:
Base-Base interactions energy: -13.188
where: short stacking energy: -10.380
Base-Backbone interact. energy: -0.670
local terms energy: -23.524449
where:
bonds (distance) C4'-P energy: -4.208
bonds (distance) P-C4' energy: -6.330
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -33.131420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.131420 (E_RNA)
where:
Base-Base interactions energy: -11.674
where: short stacking energy: -11.674
Base-Backbone interact. energy: -0.003
local terms energy: -21.454692
where:
bonds (distance) C4'-P energy: -5.139
bonds (distance) P-C4' energy: -5.060
flat angles C4'-P-C4' energy: -4.414
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -32.334590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.334590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.334590 (E_RNA)
where:
Base-Base interactions energy: -8.976
where: short stacking energy: -8.976
Base-Backbone interact. energy: -0.000
local terms energy: -23.358668
where:
bonds (distance) C4'-P energy: -3.682
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -5.235
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -35.954613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.954613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.954613 (E_RNA)
where:
Base-Base interactions energy: -9.007
where: short stacking energy: -9.007
Base-Backbone interact. energy: -0.000
local terms energy: -26.947922
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -43.327140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.327140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.327140 (E_RNA)
where:
Base-Base interactions energy: -17.932
where: short stacking energy: -16.675
Base-Backbone interact. energy: -0.000
local terms energy: -25.394378
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -6.001
flat angles C4'-P-C4' energy: -6.231
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -50.344623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.344623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.344623 (E_RNA)
where:
Base-Base interactions energy: -21.591
where: short stacking energy: -21.591
Base-Backbone interact. energy: -0.013
local terms energy: -28.740376
where:
bonds (distance) C4'-P energy: -4.560
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -47.632764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.632764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.632764 (E_RNA)
where:
Base-Base interactions energy: -18.540
where: short stacking energy: -18.540
Base-Backbone interact. energy: -0.000
local terms energy: -29.092330
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -44.587068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.587068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.587068 (E_RNA)
where:
Base-Base interactions energy: -18.396
where: short stacking energy: -14.881
Base-Backbone interact. energy: -0.044
local terms energy: -26.147270
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -37.384555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.384555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.384555 (E_RNA)
where:
Base-Base interactions energy: -13.758
where: short stacking energy: -13.610
Base-Backbone interact. energy: -0.020
local terms energy: -23.606418
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -6.222
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -33.314346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.314346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.314346 (E_RNA)
where:
Base-Base interactions energy: -15.657
where: short stacking energy: -11.025
Base-Backbone interact. energy: -0.100
local terms energy: -17.557267
where:
bonds (distance) C4'-P energy: -3.140
bonds (distance) P-C4' energy: -3.514
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -2.759
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -40.143448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.143448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.143448 (E_RNA)
where:
Base-Base interactions energy: -12.314
where: short stacking energy: -12.314
Base-Backbone interact. energy: -0.008
local terms energy: -27.821332
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.539
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -3.058
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: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -35.752777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.752777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.752777 (E_RNA)
where:
Base-Base interactions energy: -13.477
where: short stacking energy: -13.477
Base-Backbone interact. energy: -0.008
local terms energy: -22.267464
where:
bonds (distance) C4'-P energy: -2.142
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -2.074
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -43.107254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.107254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.107254 (E_RNA)
where:
Base-Base interactions energy: -18.000
where: short stacking energy: -18.000
Base-Backbone interact. energy: -0.006
local terms energy: -25.101489
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -5.811
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: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -35.225590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.225590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.225590 (E_RNA)
where:
Base-Base interactions energy: -13.200
where: short stacking energy: -13.200
Base-Backbone interact. energy: -0.074
local terms energy: -21.951748
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -4.795
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -58.497771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.497771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.497771 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.000
local terms energy: -30.784340
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -5.561
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -53.362618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.362618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.362618 (E_RNA)
where:
Base-Base interactions energy: -24.494
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.000
local terms energy: -28.867939
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.366
flat angles P-C4'-P energy: -3.672
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: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -53.093700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.093700 (E_RNA)
where:
Base-Base interactions energy: -21.666
where: short stacking energy: -21.666
Base-Backbone interact. energy: -0.000
local terms energy: -31.427428
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -45.078585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.078585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.078585 (E_RNA)
where:
Base-Base interactions energy: -17.570
where: short stacking energy: -17.570
Base-Backbone interact. energy: -0.001
local terms energy: -27.507751
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -3.787
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: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -48.812562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.812562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.812562 (E_RNA)
where:
Base-Base interactions energy: -25.819
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.000
local terms energy: -22.992918
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -42.899041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.899041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.899041 (E_RNA)
where:
Base-Base interactions energy: -20.665
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.070
local terms energy: -22.163663
where:
bonds (distance) C4'-P energy: -3.302
bonds (distance) P-C4' energy: -5.283
flat angles C4'-P-C4' energy: -6.707
flat angles P-C4'-P energy: -3.658
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: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -42.988736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.988736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.988736 (E_RNA)
where:
Base-Base interactions energy: -16.702
where: short stacking energy: -16.702
Base-Backbone interact. energy: -0.003
local terms energy: -26.284233
where:
bonds (distance) C4'-P energy: -4.212
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -4.313
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: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -37.960657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.960657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.960657 (E_RNA)
where:
Base-Base interactions energy: -13.072
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.043
local terms energy: -24.845244
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -1.292
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: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -33.377758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.377758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.377758 (E_RNA)
where:
Base-Base interactions energy: -15.148
where: short stacking energy: -14.266
Base-Backbone interact. energy: 0.104
local terms energy: -18.334260
where:
bonds (distance) C4'-P energy: -5.149
bonds (distance) P-C4' energy: -2.642
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -33.765260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.765260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.765260 (E_RNA)
where:
Base-Base interactions energy: -8.415
where: short stacking energy: -8.415
Base-Backbone interact. energy: -0.036
local terms energy: -25.313879
where:
bonds (distance) C4'-P energy: -4.606
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.956
flat angles P-C4'-P energy: -5.518
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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -53.099143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.099143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.099143 (E_RNA)
where:
Base-Base interactions energy: -23.504
where: short stacking energy: -23.504
Base-Backbone interact. energy: -0.000
local terms energy: -29.594878
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -58.185598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.185598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.185598 (E_RNA)
where:
Base-Base interactions energy: -27.287
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.000
local terms energy: -30.898094
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -1.857
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -5.644
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: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -53.230873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.230873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.230873 (E_RNA)
where:
Base-Base interactions energy: -24.514
where: short stacking energy: -24.514
Base-Backbone interact. energy: -0.000
local terms energy: -28.716828
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.445
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -46.054239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.054239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.054239 (E_RNA)
where:
Base-Base interactions energy: -19.727
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.134
local terms energy: -26.193208
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -4.088
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: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -47.700471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.700471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.700471 (E_RNA)
where:
Base-Base interactions energy: -19.504
where: short stacking energy: -19.504
Base-Backbone interact. energy: -0.013
local terms energy: -28.183196
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -40.855995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.855995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.855995 (E_RNA)
where:
Base-Base interactions energy: -21.600
where: short stacking energy: -21.600
Base-Backbone interact. energy: 0.107
local terms energy: -19.363606
where:
bonds (distance) C4'-P energy: -4.122
bonds (distance) P-C4' energy: -5.156
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -1.026
tors. eta vs tors. theta energy: -5.167
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: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -41.147772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.147772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.147772 (E_RNA)
where:
Base-Base interactions energy: -16.182
where: short stacking energy: -16.182
Base-Backbone interact. energy: -0.521
local terms energy: -24.444014
where:
bonds (distance) C4'-P energy: -4.316
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -35.311180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.311180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.311180 (E_RNA)
where:
Base-Base interactions energy: -11.858
where: short stacking energy: -10.191
Base-Backbone interact. energy: -0.120
local terms energy: -23.333576
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -35.598383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.598383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.598383 (E_RNA)
where:
Base-Base interactions energy: -14.259
where: short stacking energy: -14.259
Base-Backbone interact. energy: -0.057
local terms energy: -21.282201
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -5.012
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -39.369814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.369814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.369814 (E_RNA)
where:
Base-Base interactions energy: -14.280
where: short stacking energy: -14.280
Base-Backbone interact. energy: -0.010
local terms energy: -25.079883
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.803
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -54.192449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.192449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.192449 (E_RNA)
where:
Base-Base interactions energy: -23.899
where: short stacking energy: -23.470
Base-Backbone interact. energy: -0.000
local terms energy: -30.293094
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -5.912
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -47.876795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.876795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.876795 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.000
local terms energy: -25.205020
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -7.108
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -49.482517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.482517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.482517 (E_RNA)
where:
Base-Base interactions energy: -23.708
where: short stacking energy: -23.708
Base-Backbone interact. energy: -0.000
local terms energy: -25.774387
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -5.106
flat angles C4'-P-C4' energy: -6.670
flat angles P-C4'-P energy: -1.601
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -47.683629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.683629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.683629 (E_RNA)
where:
Base-Base interactions energy: -15.796
where: short stacking energy: -15.796
Base-Backbone interact. energy: -0.000
local terms energy: -31.887515
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -41.806617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.806617 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -14.629
Base-Backbone interact. energy: -0.000
local terms energy: -27.177726
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -43.317630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.317630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.317630 (E_RNA)
where:
Base-Base interactions energy: -20.109
where: short stacking energy: -20.109
Base-Backbone interact. energy: -0.025
local terms energy: -23.183911
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -3.723
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -31.720914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.720914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.720914 (E_RNA)
where:
Base-Base interactions energy: -12.361
where: short stacking energy: -12.361
Base-Backbone interact. energy: -0.100
local terms energy: -19.260815
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -3.166
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: 0.069
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -37.253827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.253827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.253827 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -11.487
Base-Backbone interact. energy: -0.001
local terms energy: -25.766621
where:
bonds (distance) C4'-P energy: -5.868
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.387
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -34.969275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.969275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.969275 (E_RNA)
where:
Base-Base interactions energy: -11.971
where: short stacking energy: -10.574
Base-Backbone interact. energy: -0.002
local terms energy: -22.996199
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -5.592
flat angles P-C4'-P energy: -1.705
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -42.533875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.533875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.533875 (E_RNA)
where:
Base-Base interactions energy: -20.169
where: short stacking energy: -20.169
Base-Backbone interact. energy: -0.006
local terms energy: -22.359061
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.152
flat angles C4'-P-C4' energy: -0.994
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -60.025136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.025136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.025136 (E_RNA)
where:
Base-Base interactions energy: -27.113
where: short stacking energy: -25.923
Base-Backbone interact. energy: -0.001
local terms energy: -32.910714
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -48.335464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.335464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.335464 (E_RNA)
where:
Base-Base interactions energy: -20.317
where: short stacking energy: -20.317
Base-Backbone interact. energy: -0.000
local terms energy: -28.018601
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -6.319
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -6.452
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -49.396882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.396882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.396882 (E_RNA)
where:
Base-Base interactions energy: -20.766
where: short stacking energy: -20.766
Base-Backbone interact. energy: -0.000
local terms energy: -28.630118
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -43.092960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.092960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.092960 (E_RNA)
where:
Base-Base interactions energy: -19.724
where: short stacking energy: -16.173
Base-Backbone interact. energy: -0.068
local terms energy: -23.301247
where:
bonds (distance) C4'-P energy: -5.976
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -40.865866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.865866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.865866 (E_RNA)
where:
Base-Base interactions energy: -15.608
where: short stacking energy: -12.204
Base-Backbone interact. energy: -0.013
local terms energy: -25.245079
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -35.930882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.930882 (E_RNA)
where:
Base-Base interactions energy: -9.366
where: short stacking energy: -9.032
Base-Backbone interact. energy: -0.014
local terms energy: -26.551323
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -4.839
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -36.642668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.642668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.642668 (E_RNA)
where:
Base-Base interactions energy: -17.112
where: short stacking energy: -15.257
Base-Backbone interact. energy: -0.016
local terms energy: -19.514365
where:
bonds (distance) C4'-P energy: -4.854
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -0.698
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: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -32.055854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.055854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.055854 (E_RNA)
where:
Base-Base interactions energy: -10.198
where: short stacking energy: -10.198
Base-Backbone interact. energy: -0.744
local terms energy: -21.113984
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -3.667
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -35.544455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.544455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.544455 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -12.385
Base-Backbone interact. energy: -0.026
local terms energy: -23.132988
where:
bonds (distance) C4'-P energy: -3.720
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -38.211604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.211604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.211604 (E_RNA)
where:
Base-Base interactions energy: -18.406
where: short stacking energy: -15.844
Base-Backbone interact. energy: -0.000
local terms energy: -19.805782
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -6.600
flat angles C4'-P-C4' energy: -4.056
flat angles P-C4'-P energy: -0.692
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -55.980379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.980379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.980379 (E_RNA)
where:
Base-Base interactions energy: -24.121
where: short stacking energy: -24.121
Base-Backbone interact. energy: -0.000
local terms energy: -31.859101
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -52.309374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.309374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.309374 (E_RNA)
where:
Base-Base interactions energy: -23.309
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.003
local terms energy: -28.997121
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -7.259
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -2.909
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -52.133103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.133103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.133103 (E_RNA)
where:
Base-Base interactions energy: -25.269
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.000
local terms energy: -26.864349
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -49.628232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.628232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.628232 (E_RNA)
where:
Base-Base interactions energy: -19.275
where: short stacking energy: -19.275
Base-Backbone interact. energy: -0.000
local terms energy: -30.352684
where:
bonds (distance) C4'-P energy: -4.145
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.435
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -6.236
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: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -43.332896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.332896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.332896 (E_RNA)
where:
Base-Base interactions energy: -18.242
where: short stacking energy: -15.592
Base-Backbone interact. energy: -0.001
local terms energy: -25.090103
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -4.653
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -42.204596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.204596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.204596 (E_RNA)
where:
Base-Base interactions energy: -15.759
where: short stacking energy: -15.759
Base-Backbone interact. energy: -0.008
local terms energy: -26.436963
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -4.934
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -40.501662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.501662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.501662 (E_RNA)
where:
Base-Base interactions energy: -15.114
where: short stacking energy: -15.114
Base-Backbone interact. energy: -0.000
local terms energy: -25.387516
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -38.652145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.652145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.652145 (E_RNA)
where:
Base-Base interactions energy: -15.183
where: short stacking energy: -15.183
Base-Backbone interact. energy: -0.671
local terms energy: -22.798410
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -2.879
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -38.252062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.252062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.252062 (E_RNA)
where:
Base-Base interactions energy: -13.708
where: short stacking energy: -13.708
Base-Backbone interact. energy: -0.000
local terms energy: -24.543986
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -1.392
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -33.279161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.279161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.279161 (E_RNA)
where:
Base-Base interactions energy: -12.926
where: short stacking energy: -9.864
Base-Backbone interact. energy: -0.924
local terms energy: -19.428844
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -5.261
flat angles C4'-P-C4' energy: -5.968
flat angles P-C4'-P energy: -0.964
tors. eta vs tors. theta energy: -2.538
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: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -51.739211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.739211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.739211 (E_RNA)
where:
Base-Base interactions energy: -22.064
where: short stacking energy: -22.064
Base-Backbone interact. energy: -0.003
local terms energy: -29.671594
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.061
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -5.451
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: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -52.076339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.076339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.076339 (E_RNA)
where:
Base-Base interactions energy: -22.570
where: short stacking energy: -22.570
Base-Backbone interact. energy: -0.000
local terms energy: -29.505813
where:
bonds (distance) C4'-P energy: -5.558
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -5.835
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -52.702946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.702946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.702946 (E_RNA)
where:
Base-Base interactions energy: -23.840
where: short stacking energy: -23.840
Base-Backbone interact. energy: -0.000
local terms energy: -28.862938
where:
bonds (distance) C4'-P energy: -4.953
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -6.011
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: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -47.394270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.394270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.394270 (E_RNA)
where:
Base-Base interactions energy: -17.813
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.001
local terms energy: -29.579348
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -4.927
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -4.654
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: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -43.686711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.686711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.686711 (E_RNA)
where:
Base-Base interactions energy: -15.426
where: short stacking energy: -15.196
Base-Backbone interact. energy: -0.767
local terms energy: -27.493099
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.981
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -45.131889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.131889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.131889 (E_RNA)
where:
Base-Base interactions energy: -16.187
where: short stacking energy: -16.187
Base-Backbone interact. energy: -0.000
local terms energy: -28.944505
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -7.133
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -5.309
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -38.204120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.204120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.204120 (E_RNA)
where:
Base-Base interactions energy: -11.014
where: short stacking energy: -11.014
Base-Backbone interact. energy: -0.004
local terms energy: -27.185981
where:
bonds (distance) C4'-P energy: -5.769
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -34.169112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.169112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.169112 (E_RNA)
where:
Base-Base interactions energy: -14.904
where: short stacking energy: -14.904
Base-Backbone interact. energy: -0.032
local terms energy: -19.233669
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -3.560
flat angles P-C4'-P energy: -0.889
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -35.559039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.559039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.559039 (E_RNA)
where:
Base-Base interactions energy: -13.431
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.128
local terms energy: -22.000095
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.257
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -41.085261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.085261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.085261 (E_RNA)
where:
Base-Base interactions energy: -16.428
where: short stacking energy: -13.475
Base-Backbone interact. energy: -1.030
local terms energy: -23.627225
where:
bonds (distance) C4'-P energy: -4.378
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -58.524241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.524241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.524241 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.000
local terms energy: -31.353899
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -6.442
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -49.108443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.108443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.108443 (E_RNA)
where:
Base-Base interactions energy: -23.968
where: short stacking energy: -23.968
Base-Backbone interact. energy: -0.016
local terms energy: -25.124008
where:
bonds (distance) C4'-P energy: -5.198
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.120
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -43.216534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216534 (E_RNA)
where:
Base-Base interactions energy: -14.668
where: short stacking energy: -14.668
Base-Backbone interact. energy: -0.007
local terms energy: -28.541296
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -44.519114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.519114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.519114 (E_RNA)
where:
Base-Base interactions energy: -15.785
where: short stacking energy: -15.785
Base-Backbone interact. energy: -0.100
local terms energy: -28.634270
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.399
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -39.613553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.613553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.613553 (E_RNA)
where:
Base-Base interactions energy: -12.289
where: short stacking energy: -12.289
Base-Backbone interact. energy: -0.159
local terms energy: -27.164891
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -7.544
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -46.971650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.971650 (E_RNA)
where:
Base-Base interactions energy: -17.377
where: short stacking energy: -17.377
Base-Backbone interact. energy: -0.000
local terms energy: -29.594421
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -41.033975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.033975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.033975 (E_RNA)
where:
Base-Base interactions energy: -12.933
where: short stacking energy: -11.509
Base-Backbone interact. energy: -0.011
local terms energy: -28.090165
where:
bonds (distance) C4'-P energy: -5.930
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -5.046
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: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -39.731810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.731810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.731810 (E_RNA)
where:
Base-Base interactions energy: -13.266
where: short stacking energy: -11.755
Base-Backbone interact. energy: -0.201
local terms energy: -26.265340
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -36.577737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.577737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.577737 (E_RNA)
where:
Base-Base interactions energy: -12.390
where: short stacking energy: -12.108
Base-Backbone interact. energy: -0.002
local terms energy: -24.186439
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -4.482
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -3.052
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: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -36.822400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.822400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.822400 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -13.660
Base-Backbone interact. energy: -0.005
local terms energy: -23.156898
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -2.261
flat angles P-C4'-P energy: -5.051
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: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -51.230226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.230226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.230226 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -21.794
Base-Backbone interact. energy: -0.012
local terms energy: -28.026525
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -47.711823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.711823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.711823 (E_RNA)
where:
Base-Base interactions energy: -22.110
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.000
local terms energy: -25.601446
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -3.990
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -48.544486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.544486 (E_RNA)
where:
Base-Base interactions energy: -23.099
where: short stacking energy: -23.099
Base-Backbone interact. energy: -0.000
local terms energy: -25.445281
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -5.815
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -3.538
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: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -42.536101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.536101 (E_RNA)
where:
Base-Base interactions energy: -16.916
where: short stacking energy: -16.916
Base-Backbone interact. energy: -0.039
local terms energy: -25.581083
where:
bonds (distance) C4'-P energy: -4.651
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -38.512577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.512577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.512577 (E_RNA)
where:
Base-Base interactions energy: -11.264
where: short stacking energy: -11.264
Base-Backbone interact. energy: -0.063
local terms energy: -27.185601
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -43.185432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.185432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.185432 (E_RNA)
where:
Base-Base interactions energy: -18.998
where: short stacking energy: -16.412
Base-Backbone interact. energy: -0.059
local terms energy: -24.127993
where:
bonds (distance) C4'-P energy: -4.784
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -5.632
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -49.646595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.646595 (E_RNA)
where:
Base-Base interactions energy: -24.459
where: short stacking energy: -24.459
Base-Backbone interact. energy: -0.000
local terms energy: -25.187786
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -4.362
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: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -37.133520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.133520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.133520 (E_RNA)
where:
Base-Base interactions energy: -8.731
where: short stacking energy: -8.731
Base-Backbone interact. energy: -0.000
local terms energy: -28.402729
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -7.358
flat angles C4'-P-C4' energy: -5.946
flat angles P-C4'-P energy: -4.063
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: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -31.080850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.080850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.080850 (E_RNA)
where:
Base-Base interactions energy: -8.624
where: short stacking energy: -7.235
Base-Backbone interact. energy: -0.088
local terms energy: -22.368579
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.272
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -38.046430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.046430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.046430 (E_RNA)
where:
Base-Base interactions energy: -14.533
where: short stacking energy: -11.619
Base-Backbone interact. energy: -0.506
local terms energy: -23.007499
where:
bonds (distance) C4'-P energy: -4.370
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.141
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -50.137494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.137494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.137494 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -21.643
Base-Backbone interact. energy: -0.075
local terms energy: -26.939297
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -52.021611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.021611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.021611 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.001
local terms energy: -25.463774
where:
bonds (distance) C4'-P energy: -4.134
bonds (distance) P-C4' energy: -5.314
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -43.262681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.262681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.262681 (E_RNA)
where:
Base-Base interactions energy: -16.058
where: short stacking energy: -16.058
Base-Backbone interact. energy: 0.263
local terms energy: -27.467020
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -46.762964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.762964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.762964 (E_RNA)
where:
Base-Base interactions energy: -20.518
where: short stacking energy: -19.333
Base-Backbone interact. energy: -0.001
local terms energy: -26.244104
where:
bonds (distance) C4'-P energy: -4.234
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -4.745
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: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -41.108270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.108270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.108270 (E_RNA)
where:
Base-Base interactions energy: -18.097
where: short stacking energy: -18.097
Base-Backbone interact. energy: -0.019
local terms energy: -22.992256
where:
bonds (distance) C4'-P energy: -4.085
bonds (distance) P-C4' energy: -5.772
flat angles C4'-P-C4' energy: -4.568
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -41.377386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.377386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.377386 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -11.785
Base-Backbone interact. energy: -0.154
local terms energy: -25.389428
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -3.192
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: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -32.385175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.385175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.385175 (E_RNA)
where:
Base-Base interactions energy: -10.996
where: short stacking energy: -10.996
Base-Backbone interact. energy: -0.052
local terms energy: -21.337328
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -6.600
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -2.864
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: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -35.876324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.876324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.876324 (E_RNA)
where:
Base-Base interactions energy: -13.757
where: short stacking energy: -13.665
Base-Backbone interact. energy: -0.116
local terms energy: -22.003356
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.444
flat angles P-C4'-P energy: -1.424
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -35.805344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.805344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.805344 (E_RNA)
where:
Base-Base interactions energy: -12.307
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.001
local terms energy: -23.497070
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -33.209338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.209338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.209338 (E_RNA)
where:
Base-Base interactions energy: -10.402
where: short stacking energy: -9.566
Base-Backbone interact. energy: -0.004
local terms energy: -22.803316
where:
bonds (distance) C4'-P energy: -5.611
bonds (distance) P-C4' energy: -6.425
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -51.037779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.037779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.037779 (E_RNA)
where:
Base-Base interactions energy: -22.044
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.008
local terms energy: -28.985787
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -5.649
flat angles P-C4'-P energy: -4.261
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: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -55.478687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.478687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.478687 (E_RNA)
where:
Base-Base interactions energy: -22.238
where: short stacking energy: -22.238
Base-Backbone interact. energy: -0.000
local terms energy: -33.241179
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.854
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -5.851
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -58.548652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.548652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.548652 (E_RNA)
where:
Base-Base interactions energy: -27.480
where: short stacking energy: -24.179
Base-Backbone interact. energy: -0.000
local terms energy: -31.068999
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -5.281
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: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -42.256145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.256145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.256145 (E_RNA)
where:
Base-Base interactions energy: -17.955
where: short stacking energy: -17.955
Base-Backbone interact. energy: -0.019
local terms energy: -24.282213
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -40.275057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.275057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.275057 (E_RNA)
where:
Base-Base interactions energy: -19.685
where: short stacking energy: -17.911
Base-Backbone interact. energy: -0.006
local terms energy: -20.584554
where:
bonds (distance) C4'-P energy: -5.351
bonds (distance) P-C4' energy: -4.380
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -1.322
tors. eta vs tors. theta energy: -4.934
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: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -45.177548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.177548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.177548 (E_RNA)
where:
Base-Base interactions energy: -18.383
where: short stacking energy: -18.297
Base-Backbone interact. energy: -0.004
local terms energy: -26.790625
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -2.467
tors. eta vs tors. theta energy: -5.200
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: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -40.558252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.558252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.558252 (E_RNA)
where:
Base-Base interactions energy: -18.174
where: short stacking energy: -16.798
Base-Backbone interact. energy: -0.449
local terms energy: -21.934877
where:
bonds (distance) C4'-P energy: -3.890
bonds (distance) P-C4' energy: -4.504
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -35.791003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.791003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.791003 (E_RNA)
where:
Base-Base interactions energy: -11.873
where: short stacking energy: -10.728
Base-Backbone interact. energy: -0.003
local terms energy: -23.915122
where:
bonds (distance) C4'-P energy: -3.356
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -37.379237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.379237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.379237 (E_RNA)
where:
Base-Base interactions energy: -11.748
where: short stacking energy: -11.748
Base-Backbone interact. energy: -0.010
local terms energy: -25.621234
where:
bonds (distance) C4'-P energy: -5.955
bonds (distance) P-C4' energy: -6.734
flat angles C4'-P-C4' energy: -6.868
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -37.034161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.034161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.034161 (E_RNA)
where:
Base-Base interactions energy: -13.977
where: short stacking energy: -13.977
Base-Backbone interact. energy: -0.005
local terms energy: -23.052621
where:
bonds (distance) C4'-P energy: -2.652
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -7.209
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -52.710862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.710862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.710862 (E_RNA)
where:
Base-Base interactions energy: -24.059
where: short stacking energy: -21.077
Base-Backbone interact. energy: -0.001
local terms energy: -28.650254
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -6.311
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -51.061910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.061910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.061910 (E_RNA)
where:
Base-Base interactions energy: -20.633
where: short stacking energy: -20.633
Base-Backbone interact. energy: -0.000
local terms energy: -30.428425
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -4.047
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -55.079405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.079405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.079405 (E_RNA)
where:
Base-Base interactions energy: -24.743
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.000
local terms energy: -30.336636
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -47.910235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.910235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.910235 (E_RNA)
where:
Base-Base interactions energy: -18.794
where: short stacking energy: -18.794
Base-Backbone interact. energy: -0.000
local terms energy: -29.116214
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -6.642
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: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -40.629957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.629957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.629957 (E_RNA)
where:
Base-Base interactions energy: -15.415
where: short stacking energy: -15.415
Base-Backbone interact. energy: -0.044
local terms energy: -25.170324
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -43.134672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.134672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.134672 (E_RNA)
where:
Base-Base interactions energy: -16.745
where: short stacking energy: -12.124
Base-Backbone interact. energy: -0.004
local terms energy: -26.386035
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -41.888838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.888838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.888838 (E_RNA)
where:
Base-Base interactions energy: -15.414
where: short stacking energy: -13.701
Base-Backbone interact. energy: -0.047
local terms energy: -26.428382
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -5.246
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -35.186891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.186891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.186891 (E_RNA)
where:
Base-Base interactions energy: -12.106
where: short stacking energy: -11.356
Base-Backbone interact. energy: -0.401
local terms energy: -22.679700
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -6.593
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -35.942752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.942752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.942752 (E_RNA)
where:
Base-Base interactions energy: -13.221
where: short stacking energy: -13.221
Base-Backbone interact. energy: -0.005
local terms energy: -22.716858
where:
bonds (distance) C4'-P energy: -3.711
bonds (distance) P-C4' energy: -6.832
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -1.610
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: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -31.829037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.829037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.829037 (E_RNA)
where:
Base-Base interactions energy: -13.412
where: short stacking energy: -12.420
Base-Backbone interact. energy: -0.056
local terms energy: -18.361513
where:
bonds (distance) C4'-P energy: -0.858
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -5.923
flat angles P-C4'-P energy: -3.219
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: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -48.364212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.364212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.364212 (E_RNA)
where:
Base-Base interactions energy: -19.974
where: short stacking energy: -19.974
Base-Backbone interact. energy: -0.019
local terms energy: -28.370954
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -3.993
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: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -54.323096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.323096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.323096 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.000
local terms energy: -29.501061
where:
bonds (distance) C4'-P energy: -5.405
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -50.958879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.958879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.958879 (E_RNA)
where:
Base-Base interactions energy: -22.573
where: short stacking energy: -22.573
Base-Backbone interact. energy: -0.000
local terms energy: -28.386303
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -4.930
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -40.687798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.687798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.687798 (E_RNA)
where:
Base-Base interactions energy: -13.952
where: short stacking energy: -13.201
Base-Backbone interact. energy: -0.014
local terms energy: -26.721559
where:
bonds (distance) C4'-P energy: -5.359
bonds (distance) P-C4' energy: -7.047
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -42.800918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.800918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.800918 (E_RNA)
where:
Base-Base interactions energy: -13.688
where: short stacking energy: -13.461
Base-Backbone interact. energy: -0.000
local terms energy: -29.112654
where:
bonds (distance) C4'-P energy: -4.692
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -39.743333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.743333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.743333 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -14.361
Base-Backbone interact. energy: 0.010
local terms energy: -24.149838
where:
bonds (distance) C4'-P energy: -1.493
bonds (distance) P-C4' energy: -6.743
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -5.821
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: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -34.537920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.537920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.537920 (E_RNA)
where:
Base-Base interactions energy: -12.261
where: short stacking energy: -12.261
Base-Backbone interact. energy: -0.000
local terms energy: -22.277003
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -1.727
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -36.705752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.705752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.705752 (E_RNA)
where:
Base-Base interactions energy: -13.752
where: short stacking energy: -13.205
Base-Backbone interact. energy: -0.000
local terms energy: -22.953886
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.422
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -36.695040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.695040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.695040 (E_RNA)
where:
Base-Base interactions energy: -15.316
where: short stacking energy: -15.316
Base-Backbone interact. energy: -0.004
local terms energy: -21.374824
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -4.793
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -3.885
tors. eta vs tors. theta energy: -0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -33.667960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.667960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.667960 (E_RNA)
where:
Base-Base interactions energy: -8.304
where: short stacking energy: -8.998
Base-Backbone interact. energy: -0.050
local terms energy: -25.314604
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -4.381
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -1.394
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: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -52.977465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.977465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.977465 (E_RNA)
where:
Base-Base interactions energy: -24.314
where: short stacking energy: -24.314
Base-Backbone interact. energy: -0.000
local terms energy: -28.662994
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -54.566357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.566357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.566357 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -23.694
Base-Backbone interact. energy: -0.000
local terms energy: -30.872378
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.771
flat angles C4'-P-C4' energy: -4.332
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -49.087996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.087996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.087996 (E_RNA)
where:
Base-Base interactions energy: -19.401
where: short stacking energy: -19.401
Base-Backbone interact. energy: -0.000
local terms energy: -29.686459
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.871
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -42.797936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.797936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.797936 (E_RNA)
where:
Base-Base interactions energy: -15.436
where: short stacking energy: -15.436
Base-Backbone interact. energy: -0.000
local terms energy: -27.361413
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -4.938
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -37.948720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.948720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.948720 (E_RNA)
where:
Base-Base interactions energy: -11.202
where: short stacking energy: -11.010
Base-Backbone interact. energy: -0.026
local terms energy: -26.720491
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -39.544701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.544701 (E_RNA)
where:
Base-Base interactions energy: -14.907
where: short stacking energy: -14.907
Base-Backbone interact. energy: -0.004
local terms energy: -24.634443
where:
bonds (distance) C4'-P energy: -1.881
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -5.117
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: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -39.382085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.382085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.382085 (E_RNA)
where:
Base-Base interactions energy: -12.929
where: short stacking energy: -12.929
Base-Backbone interact. energy: -0.016
local terms energy: -26.437202
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -33.598561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.598561 (E_RNA)
where:
Base-Base interactions energy: -8.454
where: short stacking energy: -6.822
Base-Backbone interact. energy: -0.001
local terms energy: -25.144296
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -6.091
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -41.154602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.154602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.154602 (E_RNA)
where:
Base-Base interactions energy: -14.524
where: short stacking energy: -14.323
Base-Backbone interact. energy: -0.000
local terms energy: -26.630133
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -5.867
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -4.445
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: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -34.188956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.188956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.188956 (E_RNA)
where:
Base-Base interactions energy: -12.848
where: short stacking energy: -12.848
Base-Backbone interact. energy: -0.000
local terms energy: -21.341227
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -0.909
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -51.081331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.081331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.081331 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.000
local terms energy: -26.767867
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -51.375260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.375260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.375260 (E_RNA)
where:
Base-Base interactions energy: -22.723
where: short stacking energy: -22.723
Base-Backbone interact. energy: -0.011
local terms energy: -28.641391
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -6.006
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -5.963
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: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -39.588485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.588485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.588485 (E_RNA)
where:
Base-Base interactions energy: -16.225
where: short stacking energy: -16.225
Base-Backbone interact. energy: -0.019
local terms energy: -23.344392
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -5.004
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -3.798
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -43.992066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.992066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.992066 (E_RNA)
where:
Base-Base interactions energy: -16.837
where: short stacking energy: -16.837
Base-Backbone interact. energy: -0.066
local terms energy: -27.088661
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -49.249022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.249022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.249022 (E_RNA)
where:
Base-Base interactions energy: -19.119
where: short stacking energy: -19.119
Base-Backbone interact. energy: -0.002
local terms energy: -30.127801
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -4.420
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: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -41.637176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.637176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.637176 (E_RNA)
where:
Base-Base interactions energy: -16.392
where: short stacking energy: -16.392
Base-Backbone interact. energy: -0.000
local terms energy: -25.244617
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -5.878
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -37.253146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.253146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.253146 (E_RNA)
where:
Base-Base interactions energy: -13.933
where: short stacking energy: -11.129
Base-Backbone interact. energy: -0.001
local terms energy: -23.319454
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -3.037
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -34.669789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.669789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.669789 (E_RNA)
where:
Base-Base interactions energy: -13.703
where: short stacking energy: -13.703
Base-Backbone interact. energy: -0.000
local terms energy: -20.967037
where:
bonds (distance) C4'-P energy: -5.579
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -2.645
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -41.246769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.246769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.246769 (E_RNA)
where:
Base-Base interactions energy: -20.367
where: short stacking energy: -19.329
Base-Backbone interact. energy: -0.004
local terms energy: -20.875614
where:
bonds (distance) C4'-P energy: -3.107
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -2.411
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: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -33.189812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.189812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.189812 (E_RNA)
where:
Base-Base interactions energy: -11.721
where: short stacking energy: -11.721
Base-Backbone interact. energy: -0.000
local terms energy: -21.468913
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -5.529
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -1.066
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: 474
Temperature: 0.900000
Total energy: -56.646961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.646961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.646961 (E_RNA)
where:
Base-Base interactions energy: -24.486
where: short stacking energy: -24.486
Base-Backbone interact. energy: -0.000
local terms energy: -32.161247
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -51.972208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.972208 (E_RNA)
where:
Base-Base interactions energy: -23.351
where: short stacking energy: -23.351
Base-Backbone interact. energy: -0.019
local terms energy: -28.601625
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -45.213769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.213769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.213769 (E_RNA)
where:
Base-Base interactions energy: -20.557
where: short stacking energy: -20.557
Base-Backbone interact. energy: -0.005
local terms energy: -24.652121
where:
bonds (distance) C4'-P energy: -4.271
bonds (distance) P-C4' energy: -4.827
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -44.245978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.245978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.245978 (E_RNA)
where:
Base-Base interactions energy: -23.751
where: short stacking energy: -19.571
Base-Backbone interact. energy: -0.798
local terms energy: -19.696614
where:
bonds (distance) C4'-P energy: -2.043
bonds (distance) P-C4' energy: -3.523
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -3.796
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: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -49.216326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.216326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.216326 (E_RNA)
where:
Base-Base interactions energy: -21.099
where: short stacking energy: -21.099
Base-Backbone interact. energy: -0.000
local terms energy: -28.117276
where:
bonds (distance) C4'-P energy: -2.578
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -6.755
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: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -39.525045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.525045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.525045 (E_RNA)
where:
Base-Base interactions energy: -17.086
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.000
local terms energy: -22.438514
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -3.765
flat angles C4'-P-C4' energy: -5.831
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -42.050986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.050986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.050986 (E_RNA)
where:
Base-Base interactions energy: -20.491
where: short stacking energy: -20.491
Base-Backbone interact. energy: -0.000
local terms energy: -21.560108
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -3.989
flat angles C4'-P-C4' energy: -3.285
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -37.695477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.695477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.695477 (E_RNA)
where:
Base-Base interactions energy: -9.236
where: short stacking energy: -9.236
Base-Backbone interact. energy: -0.000
local terms energy: -28.459626
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -4.959
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -35.910471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.910471 (E_RNA)
where:
Base-Base interactions energy: -11.778
where: short stacking energy: -11.778
Base-Backbone interact. energy: -0.000
local terms energy: -24.132585
where:
bonds (distance) C4'-P energy: -4.412
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -3.595
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: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -40.810859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.810859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.810859 (E_RNA)
where:
Base-Base interactions energy: -15.004
where: short stacking energy: -13.554
Base-Backbone interact. energy: -0.007
local terms energy: -25.800615
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -44.771754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.771754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.771754 (E_RNA)
where:
Base-Base interactions energy: -20.243
where: short stacking energy: -15.449
Base-Backbone interact. energy: -0.102
local terms energy: -24.426388
where:
bonds (distance) C4'-P energy: -4.100
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -51.439158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.439158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.439158 (E_RNA)
where:
Base-Base interactions energy: -21.557
where: short stacking energy: -20.031
Base-Backbone interact. energy: -0.092
local terms energy: -29.790175
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.909
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -47.598076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.598076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.598076 (E_RNA)
where:
Base-Base interactions energy: -20.489
where: short stacking energy: -20.489
Base-Backbone interact. energy: -0.035
local terms energy: -27.074281
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -53.973589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.973589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.973589 (E_RNA)
where:
Base-Base interactions energy: -21.911
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.000
local terms energy: -32.062916
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -43.873140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.873140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.873140 (E_RNA)
where:
Base-Base interactions energy: -17.083
where: short stacking energy: -17.683
Base-Backbone interact. energy: 0.216
local terms energy: -27.005882
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -5.020
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -43.401779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.401779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.401779 (E_RNA)
where:
Base-Base interactions energy: -16.884
where: short stacking energy: -12.564
Base-Backbone interact. energy: -0.000
local terms energy: -26.518014
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.823
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -37.944258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.944258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.944258 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.000
local terms energy: -23.056682
where:
bonds (distance) C4'-P energy: -4.907
bonds (distance) P-C4' energy: -3.330
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -48.798902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.798902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.798902 (E_RNA)
where:
Base-Base interactions energy: -18.361
where: short stacking energy: -18.361
Base-Backbone interact. energy: -0.000
local terms energy: -30.437786
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -5.258
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -32.326123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.326123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.326123 (E_RNA)
where:
Base-Base interactions energy: -9.200
where: short stacking energy: -9.200
Base-Backbone interact. energy: -0.000
local terms energy: -23.125636
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -4.231
flat angles C4'-P-C4' energy: -5.766
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -2.310
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: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -31.983465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.983465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.983465 (E_RNA)
where:
Base-Base interactions energy: -10.245
where: short stacking energy: -10.245
Base-Backbone interact. energy: -0.001
local terms energy: -21.737860
where:
bonds (distance) C4'-P energy: -3.409
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.111
flat angles P-C4'-P energy: -3.563
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: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -49.781354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.781354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.781354 (E_RNA)
where:
Base-Base interactions energy: -18.618
where: short stacking energy: -18.618
Base-Backbone interact. energy: -0.038
local terms energy: -31.125660
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -46.444446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.444446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.444446 (E_RNA)
where:
Base-Base interactions energy: -20.488
where: short stacking energy: -16.393
Base-Backbone interact. energy: -0.021
local terms energy: -25.935182
where:
bonds (distance) C4'-P energy: -6.009
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -49.531922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.531922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.531922 (E_RNA)
where:
Base-Base interactions energy: -23.605
where: short stacking energy: -23.605
Base-Backbone interact. energy: -0.003
local terms energy: -25.923514
where:
bonds (distance) C4'-P energy: -4.672
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -2.744
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -45.378077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.378077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.378077 (E_RNA)
where:
Base-Base interactions energy: -17.827
where: short stacking energy: -17.827
Base-Backbone interact. energy: -0.000
local terms energy: -27.551344
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -4.272
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -50.623306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.623306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.623306 (E_RNA)
where:
Base-Base interactions energy: -23.288
where: short stacking energy: -23.288
Base-Backbone interact. energy: 0.145
local terms energy: -27.479770
where:
bonds (distance) C4'-P energy: -5.787
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -42.251316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.251316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.251316 (E_RNA)
where:
Base-Base interactions energy: -14.564
where: short stacking energy: -14.441
Base-Backbone interact. energy: -0.073
local terms energy: -27.614089
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -6.658
flat angles C4'-P-C4' energy: -7.116
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -46.431344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.431344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.431344 (E_RNA)
where:
Base-Base interactions energy: -20.043
where: short stacking energy: -20.043
Base-Backbone interact. energy: -0.000
local terms energy: -26.387759
where:
bonds (distance) C4'-P energy: -4.262
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -36.216047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.216047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.216047 (E_RNA)
where:
Base-Base interactions energy: -15.051
where: short stacking energy: -11.476
Base-Backbone interact. energy: -0.011
local terms energy: -21.153960
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -6.206
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: 1.542
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: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -35.958621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.958621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.958621 (E_RNA)
where:
Base-Base interactions energy: -10.259
where: short stacking energy: -10.259
Base-Backbone interact. energy: 0.787
local terms energy: -26.487493
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -37.320213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.320213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.320213 (E_RNA)
where:
Base-Base interactions energy: -16.520
where: short stacking energy: -13.891
Base-Backbone interact. energy: -0.015
local terms energy: -20.785861
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -6.259
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -45.115751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.115751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.115751 (E_RNA)
where:
Base-Base interactions energy: -17.441
where: short stacking energy: -17.441
Base-Backbone interact. energy: -0.053
local terms energy: -27.621892
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -49.785807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.785807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.785807 (E_RNA)
where:
Base-Base interactions energy: -20.569
where: short stacking energy: -20.569
Base-Backbone interact. energy: -0.000
local terms energy: -29.216515
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -6.269
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: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -49.183901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.183901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.183901 (E_RNA)
where:
Base-Base interactions energy: -20.638
where: short stacking energy: -20.638
Base-Backbone interact. energy: -0.000
local terms energy: -28.545757
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.028
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -6.203
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: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -44.851589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.851589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.851589 (E_RNA)
where:
Base-Base interactions energy: -17.447
where: short stacking energy: -17.447
Base-Backbone interact. energy: -0.000
local terms energy: -27.404173
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -39.850826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.850826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.850826 (E_RNA)
where:
Base-Base interactions energy: -14.467
where: short stacking energy: -13.315
Base-Backbone interact. energy: -0.000
local terms energy: -25.383351
where:
bonds (distance) C4'-P energy: -4.837
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -38.298184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.298184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.298184 (E_RNA)
where:
Base-Base interactions energy: -15.458
where: short stacking energy: -15.458
Base-Backbone interact. energy: -0.002
local terms energy: -22.837491
where:
bonds (distance) C4'-P energy: -4.838
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -5.984
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -38.202483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.202483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.202483 (E_RNA)
where:
Base-Base interactions energy: -13.166
where: short stacking energy: -13.166
Base-Backbone interact. energy: -0.117
local terms energy: -24.919582
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -35.856267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.856267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.856267 (E_RNA)
where:
Base-Base interactions energy: -14.881
where: short stacking energy: -14.881
Base-Backbone interact. energy: -0.085
local terms energy: -20.889435
where:
bonds (distance) C4'-P energy: -4.208
bonds (distance) P-C4' energy: -4.014
flat angles C4'-P-C4' energy: -5.983
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -43.105757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.105757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.105757 (E_RNA)
where:
Base-Base interactions energy: -15.294
where: short stacking energy: -15.294
Base-Backbone interact. energy: -0.000
local terms energy: -27.811557
where:
bonds (distance) C4'-P energy: -5.679
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -41.129292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.129292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.129292 (E_RNA)
where:
Base-Base interactions energy: -11.490
where: short stacking energy: -11.490
Base-Backbone interact. energy: -0.000
local terms energy: -29.639035
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -49.904011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.904011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.904011 (E_RNA)
where:
Base-Base interactions energy: -19.597
where: short stacking energy: -19.597
Base-Backbone interact. energy: -0.007
local terms energy: -30.299660
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -6.476
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -49.043205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.043205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.043205 (E_RNA)
where:
Base-Base interactions energy: -19.435
where: short stacking energy: -19.435
Base-Backbone interact. energy: -0.017
local terms energy: -29.591322
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -6.158
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: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -47.054628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.054628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.054628 (E_RNA)
where:
Base-Base interactions energy: -22.879
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.001
local terms energy: -24.174881
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -46.276356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.276356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.276356 (E_RNA)
where:
Base-Base interactions energy: -19.818
where: short stacking energy: -19.818
Base-Backbone interact. energy: -0.000
local terms energy: -26.457726
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -2.358
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: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -46.363834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.363834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.363834 (E_RNA)
where:
Base-Base interactions energy: -20.066
where: short stacking energy: -20.066
Base-Backbone interact. energy: -0.000
local terms energy: -26.297444
where:
bonds (distance) C4'-P energy: -6.390
bonds (distance) P-C4' energy: -2.416
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -44.406728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.406728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.406728 (E_RNA)
where:
Base-Base interactions energy: -18.321
where: short stacking energy: -18.321
Base-Backbone interact. energy: -0.000
local terms energy: -26.085420
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -42.575666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.575666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.575666 (E_RNA)
where:
Base-Base interactions energy: -15.053
where: short stacking energy: -15.053
Base-Backbone interact. energy: -0.001
local terms energy: -27.521323
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -4.747
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: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -33.884719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.884719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.884719 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.298
Base-Backbone interact. energy: 0.224
local terms energy: -25.811062
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -5.805
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -33.891713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.891713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.891713 (E_RNA)
where:
Base-Base interactions energy: -8.823
where: short stacking energy: -8.138
Base-Backbone interact. energy: -0.002
local terms energy: -25.066779
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -32.423924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.423924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.423924 (E_RNA)
where:
Base-Base interactions energy: -9.399
where: short stacking energy: -9.399
Base-Backbone interact. energy: -0.004
local terms energy: -23.021443
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -3.753
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -54.425712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.425712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.425712 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -25.402
Base-Backbone interact. energy: -0.001
local terms energy: -28.923048
where:
bonds (distance) C4'-P energy: -3.798
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.176
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -50.943558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.943558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.943558 (E_RNA)
where:
Base-Base interactions energy: -21.117
where: short stacking energy: -21.117
Base-Backbone interact. energy: -0.000
local terms energy: -29.826574
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -4.257
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: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -52.095956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.095956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.095956 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.000
local terms energy: -28.504116
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -5.749
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -6.545
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: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -47.095635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.095635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.095635 (E_RNA)
where:
Base-Base interactions energy: -17.577
where: short stacking energy: -16.874
Base-Backbone interact. energy: -0.001
local terms energy: -29.517961
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -42.231000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.231000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.231000 (E_RNA)
where:
Base-Base interactions energy: -16.450
where: short stacking energy: -14.192
Base-Backbone interact. energy: -0.003
local terms energy: -25.777919
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.511
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -2.315
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: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -38.886911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.886911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.886911 (E_RNA)
where:
Base-Base interactions energy: -13.304
where: short stacking energy: -13.304
Base-Backbone interact. energy: -0.000
local terms energy: -25.583170
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.444
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -3.201
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: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -38.664945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.664945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.664945 (E_RNA)
where:
Base-Base interactions energy: -13.523
where: short stacking energy: -13.523
Base-Backbone interact. energy: -0.054
local terms energy: -25.088040
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -48.050919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.050919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.050919 (E_RNA)
where:
Base-Base interactions energy: -19.480
where: short stacking energy: -19.480
Base-Backbone interact. energy: -0.088
local terms energy: -28.482975
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -43.464423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.464423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.464423 (E_RNA)
where:
Base-Base interactions energy: -16.135
where: short stacking energy: -16.135
Base-Backbone interact. energy: -0.418
local terms energy: -26.910615
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -6.847
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -2.766
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -32.395768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.395768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.395768 (E_RNA)
where:
Base-Base interactions energy: -11.426
where: short stacking energy: -10.826
Base-Backbone interact. energy: -0.126
local terms energy: -20.843456
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -1.975
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -3.334
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: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -51.342221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.342221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.342221 (E_RNA)
where:
Base-Base interactions energy: -23.200
where: short stacking energy: -23.200
Base-Backbone interact. energy: -0.000
local terms energy: -28.142197
where:
bonds (distance) C4'-P energy: -6.580
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -49.809883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.809883 (E_RNA)
where:
Base-Base interactions energy: -22.904
where: short stacking energy: -22.904
Base-Backbone interact. energy: -0.000
local terms energy: -26.906195
where:
bonds (distance) C4'-P energy: -4.642
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -45.298355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.298355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.298355 (E_RNA)
where:
Base-Base interactions energy: -18.433
where: short stacking energy: -17.876
Base-Backbone interact. energy: -0.000
local terms energy: -26.865126
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.512
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -52.946154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.946154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.946154 (E_RNA)
where:
Base-Base interactions energy: -25.088
where: short stacking energy: -25.088
Base-Backbone interact. energy: -0.000
local terms energy: -27.858365
where:
bonds (distance) C4'-P energy: -6.018
bonds (distance) P-C4' energy: -0.677
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -46.880691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.880691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.880691 (E_RNA)
where:
Base-Base interactions energy: -21.128
where: short stacking energy: -21.128
Base-Backbone interact. energy: -0.018
local terms energy: -25.734617
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -6.400
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -45.416447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.416447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.416447 (E_RNA)
where:
Base-Base interactions energy: -18.250
where: short stacking energy: -18.250
Base-Backbone interact. energy: -0.001
local terms energy: -27.164713
where:
bonds (distance) C4'-P energy: -6.117
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -3.665
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -39.462304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.462304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.462304 (E_RNA)
where:
Base-Base interactions energy: -16.689
where: short stacking energy: -16.689
Base-Backbone interact. energy: -0.001
local terms energy: -22.772328
where:
bonds (distance) C4'-P energy: -3.977
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -2.254
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -7.000
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: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -44.570782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.570782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.570782 (E_RNA)
where:
Base-Base interactions energy: -18.204
where: short stacking energy: -18.204
Base-Backbone interact. energy: -0.032
local terms energy: -26.335192
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -5.717
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -3.676
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: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -37.739519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.739519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.739519 (E_RNA)
where:
Base-Base interactions energy: -15.125
where: short stacking energy: -15.125
Base-Backbone interact. energy: -0.101
local terms energy: -22.513988
where:
bonds (distance) C4'-P energy: -4.412
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -4.267
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -29.526516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.526516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.526516 (E_RNA)
where:
Base-Base interactions energy: -8.619
where: short stacking energy: -8.619
Base-Backbone interact. energy: -0.097
local terms energy: -20.810439
where:
bonds (distance) C4'-P energy: -6.515
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -1.713
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -61.660981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.660981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.660981 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.000
local terms energy: -33.153956
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -7.443
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: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -50.456355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.456355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.456355 (E_RNA)
where:
Base-Base interactions energy: -21.194
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.001
local terms energy: -29.261679
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -4.912
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: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -44.022324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.022324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.022324 (E_RNA)
where:
Base-Base interactions energy: -20.429
where: short stacking energy: -18.845
Base-Backbone interact. energy: -0.000
local terms energy: -23.593203
where:
bonds (distance) C4'-P energy: -3.446
bonds (distance) P-C4' energy: -6.005
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -41.441211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.441211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.441211 (E_RNA)
where:
Base-Base interactions energy: -15.815
where: short stacking energy: -15.815
Base-Backbone interact. energy: -0.000
local terms energy: -25.625981
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -6.256
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -44.216101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.216101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.216101 (E_RNA)
where:
Base-Base interactions energy: -13.707
where: short stacking energy: -13.707
Base-Backbone interact. energy: -0.000
local terms energy: -30.508988
where:
bonds (distance) C4'-P energy: -5.335
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -41.701362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.701362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.701362 (E_RNA)
where:
Base-Base interactions energy: -14.024
where: short stacking energy: -14.024
Base-Backbone interact. energy: -0.004
local terms energy: -27.673686
where:
bonds (distance) C4'-P energy: -5.848
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -4.977
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: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -35.101004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.101004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.101004 (E_RNA)
where:
Base-Base interactions energy: -11.828
where: short stacking energy: -11.809
Base-Backbone interact. energy: -0.100
local terms energy: -23.173660
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -1.494
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -34.131976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.131976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.131976 (E_RNA)
where:
Base-Base interactions energy: -11.306
where: short stacking energy: -11.306
Base-Backbone interact. energy: -0.001
local terms energy: -22.824637
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -4.616
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -33.661843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.661843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.661843 (E_RNA)
where:
Base-Base interactions energy: -15.957
where: short stacking energy: -15.832
Base-Backbone interact. energy: -0.046
local terms energy: -17.658517
where:
bonds (distance) C4'-P energy: -0.330
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -6.094
flat angles P-C4'-P energy: -0.821
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -41.960011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.960011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.960011 (E_RNA)
where:
Base-Base interactions energy: -15.633
where: short stacking energy: -15.633
Base-Backbone interact. energy: -0.002
local terms energy: -26.324305
where:
bonds (distance) C4'-P energy: -4.315
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.205
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -52.543890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.543890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.543890 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.000
local terms energy: -26.965765
where:
bonds (distance) C4'-P energy: -6.365
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.156
flat angles P-C4'-P energy: -2.573
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -42.969084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.969084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.969084 (E_RNA)
where:
Base-Base interactions energy: -14.587
where: short stacking energy: -14.587
Base-Backbone interact. energy: -0.002
local terms energy: -28.380439
where:
bonds (distance) C4'-P energy: -5.409
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -6.640
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -46.959896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.959896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.959896 (E_RNA)
where:
Base-Base interactions energy: -18.826
where: short stacking energy: -18.826
Base-Backbone interact. energy: -0.000
local terms energy: -28.134232
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -41.600332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.600332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.600332 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.009
local terms energy: -25.220846
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -6.858
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -3.749
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: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -42.614334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.614334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.614334 (E_RNA)
where:
Base-Base interactions energy: -18.390
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.001
local terms energy: -24.223652
where:
bonds (distance) C4'-P energy: -5.061
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -5.770
flat angles P-C4'-P energy: -3.205
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: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -49.877361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.877361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.877361 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -24.768
Base-Backbone interact. energy: 0.327
local terms energy: -25.436295
where:
bonds (distance) C4'-P energy: -3.478
bonds (distance) P-C4' energy: -4.965
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -32.119052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.119052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.119052 (E_RNA)
where:
Base-Base interactions energy: -12.272
where: short stacking energy: -10.148
Base-Backbone interact. energy: -0.157
local terms energy: -19.690402
where:
bonds (distance) C4'-P energy: -4.971
bonds (distance) P-C4' energy: -4.016
flat angles C4'-P-C4' energy: -6.867
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -32.304626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.304626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.304626 (E_RNA)
where:
Base-Base interactions energy: -10.091
where: short stacking energy: -10.091
Base-Backbone interact. energy: -0.023
local terms energy: -22.191376
where:
bonds (distance) C4'-P energy: -4.634
bonds (distance) P-C4' energy: -4.128
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -5.454
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: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -36.132995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.132995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.132995 (E_RNA)
where:
Base-Base interactions energy: -15.276
where: short stacking energy: -15.276
Base-Backbone interact. energy: -0.050
local terms energy: -20.807199
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: 0.380
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -34.995340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.995340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.995340 (E_RNA)
where:
Base-Base interactions energy: -10.256
where: short stacking energy: -9.494
Base-Backbone interact. energy: -0.000
local terms energy: -24.738877
where:
bonds (distance) C4'-P energy: -5.371
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -50.552036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.552036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.552036 (E_RNA)
where:
Base-Base interactions energy: -24.069
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.012
local terms energy: -26.471318
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.318
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -51.920888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.920888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.920888 (E_RNA)
where:
Base-Base interactions energy: -25.269
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.000
local terms energy: -26.651248
where:
bonds (distance) C4'-P energy: -4.635
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -1.790
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -45.593561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.593561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.593561 (E_RNA)
where:
Base-Base interactions energy: -18.158
where: short stacking energy: -18.158
Base-Backbone interact. energy: -0.004
local terms energy: -27.431966
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -47.432762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.432762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.432762 (E_RNA)
where:
Base-Base interactions energy: -20.314
where: short stacking energy: -18.445
Base-Backbone interact. energy: -0.265
local terms energy: -26.853143
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.748
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -43.249232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.249232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.249232 (E_RNA)
where:
Base-Base interactions energy: -15.797
where: short stacking energy: -15.797
Base-Backbone interact. energy: -0.010
local terms energy: -27.442044
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -4.830
flat angles P-C4'-P energy: -2.448
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -43.683989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.683989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.683989 (E_RNA)
where:
Base-Base interactions energy: -17.453
where: short stacking energy: -17.453
Base-Backbone interact. energy: -0.000
local terms energy: -26.230509
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -7.026
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -39.442621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.442621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.442621 (E_RNA)
where:
Base-Base interactions energy: -13.761
where: short stacking energy: -13.761
Base-Backbone interact. energy: -0.011
local terms energy: -25.670151
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -3.688
flat angles C4'-P-C4' energy: -5.895
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -3.913
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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -38.824778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.824778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.824778 (E_RNA)
where:
Base-Base interactions energy: -15.678
where: short stacking energy: -15.678
Base-Backbone interact. energy: -0.000
local terms energy: -23.146924
where:
bonds (distance) C4'-P energy: -5.591
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -34.512197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.512197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.512197 (E_RNA)
where:
Base-Base interactions energy: -16.350
where: short stacking energy: -11.012
Base-Backbone interact. energy: -0.212
local terms energy: -17.950036
where:
bonds (distance) C4'-P energy: -5.310
bonds (distance) P-C4' energy: -5.582
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -1.529
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -37.611521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.611521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.611521 (E_RNA)
where:
Base-Base interactions energy: -16.083
where: short stacking energy: -12.459
Base-Backbone interact. energy: -0.052
local terms energy: -21.476701
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -3.634
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -48.912264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.912264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.912264 (E_RNA)
where:
Base-Base interactions energy: -19.511
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.346
local terms energy: -29.055520
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.427
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -47.812835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.812835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.812835 (E_RNA)
where:
Base-Base interactions energy: -19.423
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.000
local terms energy: -28.389456
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -5.025
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -46.153191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.153191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.153191 (E_RNA)
where:
Base-Base interactions energy: -16.717
where: short stacking energy: -16.717
Base-Backbone interact. energy: -0.000
local terms energy: -29.436048
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.479
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -3.334
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: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -45.682456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.682456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.682456 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -19.573
Base-Backbone interact. energy: -0.014
local terms energy: -26.095425
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -6.340
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -44.081823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.081823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.081823 (E_RNA)
where:
Base-Base interactions energy: -19.104
where: short stacking energy: -19.104
Base-Backbone interact. energy: -0.040
local terms energy: -24.937563
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -38.644893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.644893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.644893 (E_RNA)
where:
Base-Base interactions energy: -14.511
where: short stacking energy: -14.511
Base-Backbone interact. energy: -0.000
local terms energy: -24.134143
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.453
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -3.573
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: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -44.195586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.195586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.195586 (E_RNA)
where:
Base-Base interactions energy: -17.588
where: short stacking energy: -17.588
Base-Backbone interact. energy: -0.010
local terms energy: -26.597951
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -33.206405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.206405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.206405 (E_RNA)
where:
Base-Base interactions energy: -10.512
where: short stacking energy: -10.512
Base-Backbone interact. energy: -0.002
local terms energy: -22.692042
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -35.869226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.869226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.869226 (E_RNA)
where:
Base-Base interactions energy: -14.183
where: short stacking energy: -14.183
Base-Backbone interact. energy: -0.023
local terms energy: -21.662848
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -3.650
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -31.709033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.709033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.709033 (E_RNA)
where:
Base-Base interactions energy: -10.821
where: short stacking energy: -10.821
Base-Backbone interact. energy: -0.314
local terms energy: -20.574106
where:
bonds (distance) C4'-P energy: -5.459
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -3.487
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -48.370921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.370921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.370921 (E_RNA)
where:
Base-Base interactions energy: -20.297
where: short stacking energy: -20.297
Base-Backbone interact. energy: 0.054
local terms energy: -28.127567
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -50.638114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.638114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.638114 (E_RNA)
where:
Base-Base interactions energy: -24.792
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.000
local terms energy: -25.846510
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -6.485
flat angles C4'-P-C4' energy: -1.680
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -51.144760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.144760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.144760 (E_RNA)
where:
Base-Base interactions energy: -21.863
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.004
local terms energy: -29.277572
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -6.173
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -45.009618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.009618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.009618 (E_RNA)
where:
Base-Base interactions energy: -19.906
where: short stacking energy: -19.906
Base-Backbone interact. energy: -0.001
local terms energy: -25.102860
where:
bonds (distance) C4'-P energy: -4.556
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -5.509
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -42.893419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.893419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.893419 (E_RNA)
where:
Base-Base interactions energy: -13.249
where: short stacking energy: -13.249
Base-Backbone interact. energy: -0.000
local terms energy: -29.644144
where:
bonds (distance) C4'-P energy: -4.874
bonds (distance) P-C4' energy: -7.345
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -41.888329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.888329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.888329 (E_RNA)
where:
Base-Base interactions energy: -15.170
where: short stacking energy: -14.414
Base-Backbone interact. energy: -0.014
local terms energy: -26.703857
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -39.576144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.576144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.576144 (E_RNA)
where:
Base-Base interactions energy: -15.699
where: short stacking energy: -14.646
Base-Backbone interact. energy: -0.220
local terms energy: -23.656631
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -0.850
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: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -32.213640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.213640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.213640 (E_RNA)
where:
Base-Base interactions energy: -14.141
where: short stacking energy: -12.137
Base-Backbone interact. energy: -0.850
local terms energy: -17.222528
where:
bonds (distance) C4'-P energy: -3.392
bonds (distance) P-C4' energy: -4.215
flat angles C4'-P-C4' energy: -4.106
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -1.185
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: 485
Temperature: 1.300000
Total energy: -38.225768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.225768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.225768 (E_RNA)
where:
Base-Base interactions energy: -12.964
where: short stacking energy: -12.964
Base-Backbone interact. energy: -0.017
local terms energy: -25.244610
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -5.358
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -36.761101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.761101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.761101 (E_RNA)
where:
Base-Base interactions energy: -12.737
where: short stacking energy: -12.737
Base-Backbone interact. energy: -0.008
local terms energy: -24.016530
where:
bonds (distance) C4'-P energy: -0.500
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -5.838
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -50.490592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.490592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.490592 (E_RNA)
where:
Base-Base interactions energy: -22.413
where: short stacking energy: -22.413
Base-Backbone interact. energy: -0.011
local terms energy: -28.067028
where:
bonds (distance) C4'-P energy: -6.924
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.032
flat angles P-C4'-P energy: -4.368
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: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -45.495061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.495061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.495061 (E_RNA)
where:
Base-Base interactions energy: -17.030
where: short stacking energy: -17.030
Base-Backbone interact. energy: -0.032
local terms energy: -28.433060
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -50.893201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.893201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.893201 (E_RNA)
where:
Base-Base interactions energy: -20.207
where: short stacking energy: -20.207
Base-Backbone interact. energy: -0.035
local terms energy: -30.651794
where:
bonds (distance) C4'-P energy: -3.336
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -7.014
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -42.175157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.175157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.175157 (E_RNA)
where:
Base-Base interactions energy: -13.290
where: short stacking energy: -13.290
Base-Backbone interact. energy: -0.000
local terms energy: -28.885133
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -4.961
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -6.369
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: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -41.873531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.873531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.873531 (E_RNA)
where:
Base-Base interactions energy: -16.869
where: short stacking energy: -15.481
Base-Backbone interact. energy: -0.002
local terms energy: -25.002745
where:
bonds (distance) C4'-P energy: -5.243
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -35.518100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.518100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.518100 (E_RNA)
where:
Base-Base interactions energy: -12.815
where: short stacking energy: -11.400
Base-Backbone interact. energy: -0.014
local terms energy: -22.688294
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -39.048448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.048448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.048448 (E_RNA)
where:
Base-Base interactions energy: -14.030
where: short stacking energy: -13.639
Base-Backbone interact. energy: -0.000
local terms energy: -25.018487
where:
bonds (distance) C4'-P energy: -5.379
bonds (distance) P-C4' energy: -5.618
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -38.380688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.380688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.380688 (E_RNA)
where:
Base-Base interactions energy: -11.720
where: short stacking energy: -11.720
Base-Backbone interact. energy: -0.006
local terms energy: -26.654901
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -36.181093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.181093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.181093 (E_RNA)
where:
Base-Base interactions energy: -15.622
where: short stacking energy: -15.622
Base-Backbone interact. energy: -0.118
local terms energy: -20.440642
where:
bonds (distance) C4'-P energy: -4.051
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -4.127
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -0.663
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: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -32.962208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.962208 (E_RNA)
where:
Base-Base interactions energy: -8.063
where: short stacking energy: -8.063
Base-Backbone interact. energy: -1.063
local terms energy: -23.836070
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -4.608
flat angles P-C4'-P energy: -1.665
tors. eta vs tors. theta energy: -4.702
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: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -52.717432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.717432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.717432 (E_RNA)
where:
Base-Base interactions energy: -22.179
where: short stacking energy: -22.179
Base-Backbone interact. energy: -0.000
local terms energy: -30.538433
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -6.388
flat angles P-C4'-P energy: -5.139
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: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -48.142684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.142684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.142684 (E_RNA)
where:
Base-Base interactions energy: -20.825
where: short stacking energy: -20.825
Base-Backbone interact. energy: -0.002
local terms energy: -27.315981
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -6.023
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: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -52.010964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.010964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.010964 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.000
local terms energy: -28.318248
where:
bonds (distance) C4'-P energy: -4.560
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -5.318
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -6.753
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -42.015187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.015187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.015187 (E_RNA)
where:
Base-Base interactions energy: -15.447
where: short stacking energy: -15.447
Base-Backbone interact. energy: -0.000
local terms energy: -26.567701
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -3.295
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: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -41.843943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.843943 (E_RNA)
where:
Base-Base interactions energy: -13.082
where: short stacking energy: -13.082
Base-Backbone interact. energy: -0.017
local terms energy: -28.744472
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -38.445582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.445582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.445582 (E_RNA)
where:
Base-Base interactions energy: -16.966
where: short stacking energy: -16.966
Base-Backbone interact. energy: -0.052
local terms energy: -21.428279
where:
bonds (distance) C4'-P energy: -4.519
bonds (distance) P-C4' energy: -5.258
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -39.555312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.555312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.555312 (E_RNA)
where:
Base-Base interactions energy: -15.779
where: short stacking energy: -15.452
Base-Backbone interact. energy: -0.029
local terms energy: -23.747368
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -40.176352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.176352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.176352 (E_RNA)
where:
Base-Base interactions energy: -15.811
where: short stacking energy: -13.221
Base-Backbone interact. energy: -0.047
local terms energy: -24.318173
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -5.742
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -32.346087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.346087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.346087 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.031
local terms energy: -20.314422
where:
bonds (distance) C4'-P energy: -5.305
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -3.315
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -38.344939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.344939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.344939 (E_RNA)
where:
Base-Base interactions energy: -15.467
where: short stacking energy: -15.467
Base-Backbone interact. energy: -0.003
local terms energy: -22.874661
where:
bonds (distance) C4'-P energy: -4.445
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -48.051512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.051512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.051512 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -21.102
Base-Backbone interact. energy: -0.003
local terms energy: -26.946489
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -6.193
flat angles P-C4'-P energy: -1.822
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: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -48.279650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.279650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.279650 (E_RNA)
where:
Base-Base interactions energy: -19.395
where: short stacking energy: -16.963
Base-Backbone interact. energy: -0.000
local terms energy: -28.884723
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -47.231077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.231077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.231077 (E_RNA)
where:
Base-Base interactions energy: -21.595
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.000
local terms energy: -25.635801
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -5.649
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -37.426495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.426495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.426495 (E_RNA)
where:
Base-Base interactions energy: -14.175
where: short stacking energy: -14.175
Base-Backbone interact. energy: -0.001
local terms energy: -23.250959
where:
bonds (distance) C4'-P energy: -5.819
bonds (distance) P-C4' energy: -5.998
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -49.658103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.658103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.658103 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -20.777
Base-Backbone interact. energy: -0.000
local terms energy: -28.881153
where:
bonds (distance) C4'-P energy: -5.209
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -4.431
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -41.284918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.284918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.284918 (E_RNA)
where:
Base-Base interactions energy: -14.974
where: short stacking energy: -14.974
Base-Backbone interact. energy: -0.004
local terms energy: -26.307490
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -39.438342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.438342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.438342 (E_RNA)
where:
Base-Base interactions energy: -14.503
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.000
local terms energy: -24.935224
where:
bonds (distance) C4'-P energy: -2.150
bonds (distance) P-C4' energy: -6.495
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -35.160922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.160922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.160922 (E_RNA)
where:
Base-Base interactions energy: -12.735
where: short stacking energy: -12.735
Base-Backbone interact. energy: 0.060
local terms energy: -22.485709
where:
bonds (distance) C4'-P energy: -5.143
bonds (distance) P-C4' energy: -7.280
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -32.719068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.719068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.719068 (E_RNA)
where:
Base-Base interactions energy: -7.443
where: short stacking energy: -7.443
Base-Backbone interact. energy: -0.004
local terms energy: -25.271579
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -32.323441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.323441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.323441 (E_RNA)
where:
Base-Base interactions energy: -9.839
where: short stacking energy: -7.536
Base-Backbone interact. energy: -0.090
local terms energy: -22.394148
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -3.339
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -56.431490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.431490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.431490 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.000
local terms energy: -30.859082
where:
bonds (distance) C4'-P energy: -5.814
bonds (distance) P-C4' energy: -5.818
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -8.378
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: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -47.438340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.438340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.438340 (E_RNA)
where:
Base-Base interactions energy: -18.628
where: short stacking energy: -18.628
Base-Backbone interact. energy: -0.000
local terms energy: -28.810104
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -42.771926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.771926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.771926 (E_RNA)
where:
Base-Base interactions energy: -21.193
where: short stacking energy: -20.381
Base-Backbone interact. energy: -0.012
local terms energy: -21.567512
where:
bonds (distance) C4'-P energy: -3.860
bonds (distance) P-C4' energy: -3.991
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -53.349715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.349715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.349715 (E_RNA)
where:
Base-Base interactions energy: -23.617
where: short stacking energy: -21.559
Base-Backbone interact. energy: -0.667
local terms energy: -29.065596
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -6.103
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -40.563323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.563323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.563323 (E_RNA)
where:
Base-Base interactions energy: -15.008
where: short stacking energy: -15.008
Base-Backbone interact. energy: -0.444
local terms energy: -25.111107
where:
bonds (distance) C4'-P energy: -6.837
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -6.214
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -35.904362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.904362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.904362 (E_RNA)
where:
Base-Base interactions energy: -12.554
where: short stacking energy: -12.554
Base-Backbone interact. energy: -0.023
local terms energy: -23.328023
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -6.914
flat angles P-C4'-P energy: -1.518
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -39.243086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.243086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.243086 (E_RNA)
where:
Base-Base interactions energy: -15.303
where: short stacking energy: -15.303
Base-Backbone interact. energy: -0.001
local terms energy: -23.939400
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -3.459
flat angles P-C4'-P energy: -5.374
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: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -35.997672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.997672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.997672 (E_RNA)
where:
Base-Base interactions energy: -12.895
where: short stacking energy: -12.895
Base-Backbone interact. energy: -0.015
local terms energy: -23.086798
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -3.118
flat angles P-C4'-P energy: -5.038
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -37.091889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.091889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.091889 (E_RNA)
where:
Base-Base interactions energy: -14.478
where: short stacking energy: -13.675
Base-Backbone interact. energy: -0.003
local terms energy: -22.611006
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -3.562
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -3.193
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -31.439790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.439790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.439790 (E_RNA)
where:
Base-Base interactions energy: -9.561
where: short stacking energy: -8.005
Base-Backbone interact. energy: 1.005
local terms energy: -22.884679
where:
bonds (distance) C4'-P energy: -3.932
bonds (distance) P-C4' energy: -5.547
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -54.324932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.324932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.324932 (E_RNA)
where:
Base-Base interactions energy: -24.264
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.000
local terms energy: -30.060698
where:
bonds (distance) C4'-P energy: -5.380
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -49.533326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.533326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.533326 (E_RNA)
where:
Base-Base interactions energy: -20.910
where: short stacking energy: -20.910
Base-Backbone interact. energy: -0.046
local terms energy: -28.577145
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -49.266656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.266656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.266656 (E_RNA)
where:
Base-Base interactions energy: -20.840
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.010
local terms energy: -28.415888
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -4.139
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -53.439530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.439530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.439530 (E_RNA)
where:
Base-Base interactions energy: -22.723
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.024
local terms energy: -30.691853
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -7.767
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -4.819
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: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -39.981481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.981481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.981481 (E_RNA)
where:
Base-Base interactions energy: -12.916
where: short stacking energy: -12.916
Base-Backbone interact. energy: -0.023
local terms energy: -27.042958
where:
bonds (distance) C4'-P energy: -6.348
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -44.982450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.982450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.982450 (E_RNA)
where:
Base-Base interactions energy: -18.032
where: short stacking energy: -18.032
Base-Backbone interact. energy: -0.000
local terms energy: -26.949971
where:
bonds (distance) C4'-P energy: -5.008
bonds (distance) P-C4' energy: -6.734
flat angles C4'-P-C4' energy: -4.106
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -37.121345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.121345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.121345 (E_RNA)
where:
Base-Base interactions energy: -13.508
where: short stacking energy: -13.508
Base-Backbone interact. energy: -0.002
local terms energy: -23.611312
where:
bonds (distance) C4'-P energy: -3.248
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -35.240051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.240051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.240051 (E_RNA)
where:
Base-Base interactions energy: -13.835
where: short stacking energy: -13.835
Base-Backbone interact. energy: -0.004
local terms energy: -21.401283
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -7.094
flat angles C4'-P-C4' energy: -0.992
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -35.295165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.295165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.295165 (E_RNA)
where:
Base-Base interactions energy: -13.445
where: short stacking energy: -13.209
Base-Backbone interact. energy: -0.007
local terms energy: -21.843417
where:
bonds (distance) C4'-P energy: -5.053
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -4.474
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -34.847874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.847874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.847874 (E_RNA)
where:
Base-Base interactions energy: -7.726
where: short stacking energy: -7.726
Base-Backbone interact. energy: -0.000
local terms energy: -27.121130
where:
bonds (distance) C4'-P energy: -4.411
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -7.058
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -52.220272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.220272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.220272 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -21.714
Base-Backbone interact. energy: -1.106
local terms energy: -29.401040
where:
bonds (distance) C4'-P energy: -5.193
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -4.726
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: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -50.697926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.697926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.697926 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -21.196
Base-Backbone interact. energy: -0.001
local terms energy: -27.470428
where:
bonds (distance) C4'-P energy: -4.837
bonds (distance) P-C4' energy: -6.526
flat angles C4'-P-C4' energy: -4.652
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -5.002
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: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -42.026824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.026824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.026824 (E_RNA)
where:
Base-Base interactions energy: -18.602
where: short stacking energy: -14.067
Base-Backbone interact. energy: -0.006
local terms energy: -23.419310
where:
bonds (distance) C4'-P energy: -4.225
bonds (distance) P-C4' energy: -8.025
flat angles C4'-P-C4' energy: -3.744
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -42.594019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.594019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.594019 (E_RNA)
where:
Base-Base interactions energy: -15.417
where: short stacking energy: -15.417
Base-Backbone interact. energy: -0.000
local terms energy: -27.176578
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -3.191
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -39.053321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.053321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.053321 (E_RNA)
where:
Base-Base interactions energy: -12.503
where: short stacking energy: -11.927
Base-Backbone interact. energy: -0.000
local terms energy: -26.550017
where:
bonds (distance) C4'-P energy: -4.482
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -49.127405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.127405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.127405 (E_RNA)
where:
Base-Base interactions energy: -21.223
where: short stacking energy: -21.223
Base-Backbone interact. energy: -0.011
local terms energy: -27.893688
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -40.011940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.011940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.011940 (E_RNA)
where:
Base-Base interactions energy: -17.293
where: short stacking energy: -15.351
Base-Backbone interact. energy: -0.028
local terms energy: -22.691316
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -3.604
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -37.051366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.051366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.051366 (E_RNA)
where:
Base-Base interactions energy: -11.993
where: short stacking energy: -11.993
Base-Backbone interact. energy: -0.007
local terms energy: -25.051875
where:
bonds (distance) C4'-P energy: -5.231
bonds (distance) P-C4' energy: -5.771
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -35.314404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.314404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.314404 (E_RNA)
where:
Base-Base interactions energy: -12.753
where: short stacking energy: -11.407
Base-Backbone interact. energy: -0.028
local terms energy: -22.533519
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -5.155
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -33.686576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.686576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.686576 (E_RNA)
where:
Base-Base interactions energy: -11.166
where: short stacking energy: -11.166
Base-Backbone interact. energy: -0.368
local terms energy: -22.152925
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -60.459263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.459263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.459263 (E_RNA)
where:
Base-Base interactions energy: -25.907
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.000
local terms energy: -34.551929
where:
bonds (distance) C4'-P energy: -5.989
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -7.486
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -44.333661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.333661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.333661 (E_RNA)
where:
Base-Base interactions energy: -16.583
where: short stacking energy: -16.583
Base-Backbone interact. energy: -0.000
local terms energy: -27.751088
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -47.210600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.210600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.210600 (E_RNA)
where:
Base-Base interactions energy: -19.488
where: short stacking energy: -19.488
Base-Backbone interact. energy: -0.000
local terms energy: -27.722359
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -5.713
flat angles C4'-P-C4' energy: -7.124
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -43.051323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.051323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.051323 (E_RNA)
where:
Base-Base interactions energy: -16.379
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.000
local terms energy: -26.672088
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -2.492
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -47.584168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.584168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.584168 (E_RNA)
where:
Base-Base interactions energy: -20.054
where: short stacking energy: -20.054
Base-Backbone interact. energy: -0.000
local terms energy: -27.530099
where:
bonds (distance) C4'-P energy: -5.271
bonds (distance) P-C4' energy: -6.861
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -41.648652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.648652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.648652 (E_RNA)
where:
Base-Base interactions energy: -14.937
where: short stacking energy: -14.937
Base-Backbone interact. energy: -0.000
local terms energy: -26.712011
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -34.295699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.295699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.295699 (E_RNA)
where:
Base-Base interactions energy: -11.715
where: short stacking energy: -7.828
Base-Backbone interact. energy: -0.375
local terms energy: -22.205776
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.495
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -37.531026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.531026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.531026 (E_RNA)
where:
Base-Base interactions energy: -13.010
where: short stacking energy: -13.010
Base-Backbone interact. energy: -0.025
local terms energy: -24.495807
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -0.468
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -32.668287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.668287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.668287 (E_RNA)
where:
Base-Base interactions energy: -10.192
where: short stacking energy: -10.192
Base-Backbone interact. energy: -0.004
local terms energy: -22.472066
where:
bonds (distance) C4'-P energy: -5.475
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -4.855
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: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -31.457316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.457316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.457316 (E_RNA)
where:
Base-Base interactions energy: -10.129
where: short stacking energy: -10.129
Base-Backbone interact. energy: 1.900
local terms energy: -23.227791
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -2.851
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -46.621153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.621153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.621153 (E_RNA)
where:
Base-Base interactions energy: -15.554
where: short stacking energy: -15.554
Base-Backbone interact. energy: -0.000
local terms energy: -31.066618
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -51.837293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.837293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.837293 (E_RNA)
where:
Base-Base interactions energy: -24.503
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.000
local terms energy: -27.334092
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -5.618
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -40.433917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.433917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.433917 (E_RNA)
where:
Base-Base interactions energy: -16.020
where: short stacking energy: -16.020
Base-Backbone interact. energy: -0.006
local terms energy: -24.407463
where:
bonds (distance) C4'-P energy: -5.016
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -49.049627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.049627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.049627 (E_RNA)
where:
Base-Base interactions energy: -20.696
where: short stacking energy: -19.260
Base-Backbone interact. energy: -0.000
local terms energy: -28.353913
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -3.356
flat angles P-C4'-P energy: -4.331
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: 5, replica: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -37.122975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.122975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.122975 (E_RNA)
where:
Base-Base interactions energy: -16.565
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.127
local terms energy: -20.430956
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -41.228224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.228224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.228224 (E_RNA)
where:
Base-Base interactions energy: -16.829
where: short stacking energy: -16.829
Base-Backbone interact. energy: -0.091
local terms energy: -24.307885
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -1.397
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -41.441934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.441934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.441934 (E_RNA)
where:
Base-Base interactions energy: -20.378
where: short stacking energy: -20.378
Base-Backbone interact. energy: 0.876
local terms energy: -21.939562
where:
bonds (distance) C4'-P energy: -3.211
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -1.300
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -34.713495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.713495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.713495 (E_RNA)
where:
Base-Base interactions energy: -10.356
where: short stacking energy: -10.356
Base-Backbone interact. energy: -0.000
local terms energy: -24.357747
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -2.453
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -34.420804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.420804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.420804 (E_RNA)
where:
Base-Base interactions energy: -10.913
where: short stacking energy: -10.572
Base-Backbone interact. energy: -0.113
local terms energy: -23.394430
where:
bonds (distance) C4'-P energy: -5.964
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -34.252704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.252704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.252704 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.105
local terms energy: -21.966826
where:
bonds (distance) C4'-P energy: -6.374
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -6.513
flat angles P-C4'-P energy: -1.329
tors. eta vs tors. theta energy: -0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -53.823643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.823643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.823643 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.000
local terms energy: -28.747633
where:
bonds (distance) C4'-P energy: -4.564
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -3.513
flat angles P-C4'-P energy: -4.616
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: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -52.332274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.332274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.332274 (E_RNA)
where:
Base-Base interactions energy: -24.320
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.000
local terms energy: -28.012397
where:
bonds (distance) C4'-P energy: -4.804
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.825
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -5.780
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: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -51.270884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.270884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.270884 (E_RNA)
where:
Base-Base interactions energy: -22.085
where: short stacking energy: -20.389
Base-Backbone interact. energy: -0.588
local terms energy: -28.598626
where:
bonds (distance) C4'-P energy: -5.377
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -43.174027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.174027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.174027 (E_RNA)
where:
Base-Base interactions energy: -17.353
where: short stacking energy: -17.353
Base-Backbone interact. energy: -0.000
local terms energy: -25.820808
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -4.124
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: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -42.992164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.992164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.992164 (E_RNA)
where:
Base-Base interactions energy: -20.296
where: short stacking energy: -20.296
Base-Backbone interact. energy: -0.000
local terms energy: -22.695575
where:
bonds (distance) C4'-P energy: -3.968
bonds (distance) P-C4' energy: -5.026
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -38.784602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.784602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.784602 (E_RNA)
where:
Base-Base interactions energy: -11.783
where: short stacking energy: -11.783
Base-Backbone interact. energy: -0.014
local terms energy: -26.987069
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -6.044
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -45.382393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.382393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.382393 (E_RNA)
where:
Base-Base interactions energy: -15.340
where: short stacking energy: -15.340
Base-Backbone interact. energy: -0.000
local terms energy: -30.042709
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -6.072
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -36.961847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.961847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.961847 (E_RNA)
where:
Base-Base interactions energy: -12.115
where: short stacking energy: -12.115
Base-Backbone interact. energy: -0.122
local terms energy: -24.724934
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -5.977
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -34.123932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.123932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.123932 (E_RNA)
where:
Base-Base interactions energy: -9.625
where: short stacking energy: -9.625
Base-Backbone interact. energy: -0.054
local terms energy: -24.444875
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -3.712
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -34.178106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.178106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.178106 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -12.467
Base-Backbone interact. energy: -0.000
local terms energy: -21.710602
where:
bonds (distance) C4'-P energy: -6.170
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -47.576659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.576659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.576659 (E_RNA)
where:
Base-Base interactions energy: -19.502
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.100
local terms energy: -27.975163
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -50.488544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.488544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.488544 (E_RNA)
where:
Base-Base interactions energy: -22.827
where: short stacking energy: -21.172
Base-Backbone interact. energy: -0.000
local terms energy: -27.661752
where:
bonds (distance) C4'-P energy: -5.098
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -2.393
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -48.098422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.098422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.098422 (E_RNA)
where:
Base-Base interactions energy: -22.032
where: short stacking energy: -21.269
Base-Backbone interact. energy: -0.001
local terms energy: -26.065109
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -40.619678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.619678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.619678 (E_RNA)
where:
Base-Base interactions energy: -20.004
where: short stacking energy: -20.004
Base-Backbone interact. energy: -0.000
local terms energy: -20.616080
where:
bonds (distance) C4'-P energy: -3.202
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -48.283047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.283047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.283047 (E_RNA)
where:
Base-Base interactions energy: -19.080
where: short stacking energy: -19.080
Base-Backbone interact. energy: -0.077
local terms energy: -29.125631
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -43.858411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.858411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.858411 (E_RNA)
where:
Base-Base interactions energy: -19.139
where: short stacking energy: -19.139
Base-Backbone interact. energy: -0.026
local terms energy: -24.693428
where:
bonds (distance) C4'-P energy: -5.637
bonds (distance) P-C4' energy: -4.512
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -35.016786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.016786 (E_RNA)
where:
Base-Base interactions energy: -12.651
where: short stacking energy: -12.651
Base-Backbone interact. energy: -0.030
local terms energy: -22.335364
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -3.529
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -5.279
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: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -37.176686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.176686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.176686 (E_RNA)
where:
Base-Base interactions energy: -14.346
where: short stacking energy: -14.346
Base-Backbone interact. energy: -0.001
local terms energy: -22.829500
where:
bonds (distance) C4'-P energy: -4.660
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -3.535
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -31.382828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.382828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.382828 (E_RNA)
where:
Base-Base interactions energy: -10.412
where: short stacking energy: -8.435
Base-Backbone interact. energy: -0.003
local terms energy: -20.967564
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -5.745
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -46.036885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.036885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.036885 (E_RNA)
where:
Base-Base interactions energy: -16.686
where: short stacking energy: -16.686
Base-Backbone interact. energy: -0.000
local terms energy: -29.351089
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -52.866118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.866118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.866118 (E_RNA)
where:
Base-Base interactions energy: -21.071
where: short stacking energy: -19.544
Base-Backbone interact. energy: -0.003
local terms energy: -31.792485
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -42.114362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.114362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.114362 (E_RNA)
where:
Base-Base interactions energy: -16.089
where: short stacking energy: -16.089
Base-Backbone interact. energy: -0.000
local terms energy: -26.024612
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -6.256
flat angles C4'-P-C4' energy: -5.974
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -44.930205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.930205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.930205 (E_RNA)
where:
Base-Base interactions energy: -21.373
where: short stacking energy: -17.342
Base-Backbone interact. energy: -0.054
local terms energy: -23.503666
where:
bonds (distance) C4'-P energy: 0.305
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -47.617572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.617572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.617572 (E_RNA)
where:
Base-Base interactions energy: -19.660
where: short stacking energy: -19.660
Base-Backbone interact. energy: -0.002
local terms energy: -27.955357
where:
bonds (distance) C4'-P energy: -4.804
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -41.637935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.637935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.637935 (E_RNA)
where:
Base-Base interactions energy: -17.805
where: short stacking energy: -17.805
Base-Backbone interact. energy: -0.000
local terms energy: -23.832424
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -2.759
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: 496
Temperature: 1.150000
Total energy: -43.306161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.306161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.306161 (E_RNA)
where:
Base-Base interactions energy: -13.901
where: short stacking energy: -13.901
Base-Backbone interact. energy: -0.000
local terms energy: -29.405066
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -7.217
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -39.385965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.385965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.385965 (E_RNA)
where:
Base-Base interactions energy: -16.316
where: short stacking energy: -15.100
Base-Backbone interact. energy: -0.002
local terms energy: -23.067840
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -5.199
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -1.529
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -39.939961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.939961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.939961 (E_RNA)
where:
Base-Base interactions energy: -15.468
where: short stacking energy: -15.468
Base-Backbone interact. energy: -0.039
local terms energy: -24.433516
where:
bonds (distance) C4'-P energy: -2.269
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -4.128
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: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -36.298845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.298845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.298845 (E_RNA)
where:
Base-Base interactions energy: -16.154
where: short stacking energy: -16.154
Base-Backbone interact. energy: -0.100
local terms energy: -20.044570
where:
bonds (distance) C4'-P energy: -5.781
bonds (distance) P-C4' energy: -6.234
flat angles C4'-P-C4' energy: -2.010
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -42.620119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620119 (E_RNA)
where:
Base-Base interactions energy: -16.447
where: short stacking energy: -15.411
Base-Backbone interact. energy: -0.000
local terms energy: -26.173017
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -6.428
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -52.525130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.525130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.525130 (E_RNA)
where:
Base-Base interactions energy: -21.702
where: short stacking energy: -21.702
Base-Backbone interact. energy: -0.000
local terms energy: -30.822508
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -7.283
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -2.885
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: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -44.086565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.086565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.086565 (E_RNA)
where:
Base-Base interactions energy: -17.632
where: short stacking energy: -17.632
Base-Backbone interact. energy: -0.003
local terms energy: -26.451743
where:
bonds (distance) C4'-P energy: -6.953
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -42.114756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.114756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.114756 (E_RNA)
where:
Base-Base interactions energy: -15.222
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.000
local terms energy: -26.892712
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -4.464
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: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -42.615817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.615817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.615817 (E_RNA)
where:
Base-Base interactions energy: -15.252
where: short stacking energy: -15.252
Base-Backbone interact. energy: -0.004
local terms energy: -27.360171
where:
bonds (distance) C4'-P energy: -6.490
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -42.424302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.424302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.424302 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.085
local terms energy: -25.424823
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -46.196494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.196494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.196494 (E_RNA)
where:
Base-Base interactions energy: -20.127
where: short stacking energy: -20.127
Base-Backbone interact. energy: -0.000
local terms energy: -26.068943
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -6.266
flat angles C4'-P-C4' energy: -4.047
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -36.142911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.142911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.142911 (E_RNA)
where:
Base-Base interactions energy: -14.679
where: short stacking energy: -13.961
Base-Backbone interact. energy: -0.711
local terms energy: -20.753087
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -2.891
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -3.778
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: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -33.124421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.124421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.124421 (E_RNA)
where:
Base-Base interactions energy: -8.164
where: short stacking energy: -8.164
Base-Backbone interact. energy: -0.134
local terms energy: -24.826398
where:
bonds (distance) C4'-P energy: -5.533
bonds (distance) P-C4' energy: -7.072
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -38.488009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.488009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.488009 (E_RNA)
where:
Base-Base interactions energy: -11.119
where: short stacking energy: -11.119
Base-Backbone interact. energy: -0.102
local terms energy: -27.266854
where:
bonds (distance) C4'-P energy: -5.823
bonds (distance) P-C4' energy: -7.348
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -36.127892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.127892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.127892 (E_RNA)
where:
Base-Base interactions energy: -14.652
where: short stacking energy: -14.652
Base-Backbone interact. energy: -0.015
local terms energy: -21.460549
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -56.889235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.889235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.889235 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -26.830
Base-Backbone interact. energy: -0.000
local terms energy: -30.059395
where:
bonds (distance) C4'-P energy: -4.534
bonds (distance) P-C4' energy: -5.093
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -54.992847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.992847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.992847 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -23.834
Base-Backbone interact. energy: -0.001
local terms energy: -27.457003
where:
bonds (distance) C4'-P energy: -2.484
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -55.047253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.047253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.047253 (E_RNA)
where:
Base-Base interactions energy: -25.860
where: short stacking energy: -21.132
Base-Backbone interact. energy: -0.006
local terms energy: -29.181409
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -5.246
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: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -48.949933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.949933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.949933 (E_RNA)
where:
Base-Base interactions energy: -21.998
where: short stacking energy: -21.998
Base-Backbone interact. energy: -0.000
local terms energy: -26.951718
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -1.622
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -45.555754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.555754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.555754 (E_RNA)
where:
Base-Base interactions energy: -19.875
where: short stacking energy: -16.302
Base-Backbone interact. energy: -0.003
local terms energy: -25.677782
where:
bonds (distance) C4'-P energy: -5.661
bonds (distance) P-C4' energy: -5.801
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -5.211
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: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -32.980881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.980881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.980881 (E_RNA)
where:
Base-Base interactions energy: -10.526
where: short stacking energy: -7.963
Base-Backbone interact. energy: -0.161
local terms energy: -22.293709
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -36.144892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.144892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.144892 (E_RNA)
where:
Base-Base interactions energy: -13.117
where: short stacking energy: -13.117
Base-Backbone interact. energy: -0.043
local terms energy: -22.985607
where:
bonds (distance) C4'-P energy: -6.204
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -5.151
flat angles P-C4'-P energy: -2.508
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -32.438026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.438026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.438026 (E_RNA)
where:
Base-Base interactions energy: -10.559
where: short stacking energy: -10.559
Base-Backbone interact. energy: -0.150
local terms energy: -21.728655
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -5.575
flat angles C4'-P-C4' energy: -4.886
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -34.591629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.591629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.591629 (E_RNA)
where:
Base-Base interactions energy: -10.692
where: short stacking energy: -10.692
Base-Backbone interact. energy: -0.009
local terms energy: -23.890921
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -31.476138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.476138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.476138 (E_RNA)
where:
Base-Base interactions energy: -10.236
where: short stacking energy: -3.190
Base-Backbone interact. energy: -0.001
local terms energy: -21.239177
where:
bonds (distance) C4'-P energy: -6.046
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -5.842
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -56.242971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.242971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.242971 (E_RNA)
where:
Base-Base interactions energy: -26.684
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.000
local terms energy: -29.558846
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -7.156
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -6.314
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: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -46.352404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.352404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.352404 (E_RNA)
where:
Base-Base interactions energy: -19.387
where: short stacking energy: -19.387
Base-Backbone interact. energy: -0.089
local terms energy: -26.876522
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -6.759
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -52.630631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.630631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.630631 (E_RNA)
where:
Base-Base interactions energy: -24.637
where: short stacking energy: -24.637
Base-Backbone interact. energy: -0.100
local terms energy: -27.893499
where:
bonds (distance) C4'-P energy: -5.317
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -53.396560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.396560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.396560 (E_RNA)
where:
Base-Base interactions energy: -24.537
where: short stacking energy: -24.537
Base-Backbone interact. energy: -0.001
local terms energy: -28.859326
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -5.748
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -6.214
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: 5, replica: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -39.284543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.284543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.284543 (E_RNA)
where:
Base-Base interactions energy: -14.728
where: short stacking energy: -14.728
Base-Backbone interact. energy: -0.002
local terms energy: -24.554549
where:
bonds (distance) C4'-P energy: -6.986
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -3.472
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -2.388
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: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -49.496132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.496132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.496132 (E_RNA)
where:
Base-Base interactions energy: -20.833
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.000
local terms energy: -28.663433
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.122
flat angles P-C4'-P energy: -4.582
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: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -37.986717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.986717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.986717 (E_RNA)
where:
Base-Base interactions energy: -11.222
where: short stacking energy: -9.680
Base-Backbone interact. energy: -0.099
local terms energy: -26.665601
where:
bonds (distance) C4'-P energy: -4.386
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -37.778946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.778946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.778946 (E_RNA)
where:
Base-Base interactions energy: -11.535
where: short stacking energy: -11.535
Base-Backbone interact. energy: -0.000
local terms energy: -26.243864
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -8.032
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -35.173244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.173244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.173244 (E_RNA)
where:
Base-Base interactions energy: -13.800
where: short stacking energy: -13.800
Base-Backbone interact. energy: -0.000
local terms energy: -21.372994
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -4.464
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -33.550163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.550163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.550163 (E_RNA)
where:
Base-Base interactions energy: -11.017
where: short stacking energy: -11.017
Base-Backbone interact. energy: -0.003
local terms energy: -22.529747
where:
bonds (distance) C4'-P energy: -4.051
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.773
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -57.143806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.143806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.143806 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.000
local terms energy: -32.936979
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -42.352699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.352699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.352699 (E_RNA)
where:
Base-Base interactions energy: -17.220
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.093
local terms energy: -25.039846
where:
bonds (distance) C4'-P energy: -6.079
bonds (distance) P-C4' energy: -3.134
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -45.678357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.678357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.678357 (E_RNA)
where:
Base-Base interactions energy: -20.354
where: short stacking energy: -19.381
Base-Backbone interact. energy: 1.680
local terms energy: -27.004475
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -50.622805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.622805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.622805 (E_RNA)
where:
Base-Base interactions energy: -23.571
where: short stacking energy: -23.571
Base-Backbone interact. energy: -0.000
local terms energy: -27.051887
where:
bonds (distance) C4'-P energy: -4.677
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -4.222
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -42.111127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.111127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.111127 (E_RNA)
where:
Base-Base interactions energy: -17.595
where: short stacking energy: -17.595
Base-Backbone interact. energy: -0.151
local terms energy: -24.365306
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: 0.507
tors. eta vs tors. theta energy: -4.981
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: 1
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -37.338121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.338121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.338121 (E_RNA)
where:
Base-Base interactions energy: -10.750
where: short stacking energy: -10.750
Base-Backbone interact. energy: -0.055
local terms energy: -26.533759
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -38.176929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.176929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.176929 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.034
local terms energy: -24.765632
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -34.972891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.972891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.972891 (E_RNA)
where:
Base-Base interactions energy: -9.536
where: short stacking energy: -9.536
Base-Backbone interact. energy: -0.000
local terms energy: -25.436951
where:
bonds (distance) C4'-P energy: -5.728
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -34.082544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.082544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.082544 (E_RNA)
where:
Base-Base interactions energy: -13.429
where: short stacking energy: -10.542
Base-Backbone interact. energy: 0.230
local terms energy: -20.882761
where:
bonds (distance) C4'-P energy: -6.224
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -5.077
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -33.422696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.422696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.422696 (E_RNA)
where:
Base-Base interactions energy: -18.248
where: short stacking energy: -15.811
Base-Backbone interact. energy: -0.134
local terms energy: -15.040864
where:
bonds (distance) C4'-P energy: -4.060
bonds (distance) P-C4' energy: -3.342
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -3.170
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: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -57.319968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.319968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.319968 (E_RNA)
where:
Base-Base interactions energy: -24.808
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.000
local terms energy: -32.511930
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -50.805511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.805511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.805511 (E_RNA)
where:
Base-Base interactions energy: -22.739
where: short stacking energy: -20.020
Base-Backbone interact. energy: -0.000
local terms energy: -28.066149
where:
bonds (distance) C4'-P energy: -5.008
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -5.087
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: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -39.660647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.660647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.660647 (E_RNA)
where:
Base-Base interactions energy: -13.651
where: short stacking energy: -12.204
Base-Backbone interact. energy: -0.012
local terms energy: -25.998093
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.453
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -44.465487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.465487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.465487 (E_RNA)
where:
Base-Base interactions energy: -16.924
where: short stacking energy: -9.769
Base-Backbone interact. energy: -0.365
local terms energy: -27.176200
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -42.868302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.868302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.868302 (E_RNA)
where:
Base-Base interactions energy: -17.148
where: short stacking energy: -17.148
Base-Backbone interact. energy: -0.009
local terms energy: -25.711005
where:
bonds (distance) C4'-P energy: -5.147
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -2.742
tors. eta vs tors. theta energy: -4.699
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -33.843093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.843093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.843093 (E_RNA)
where:
Base-Base interactions energy: -15.844
where: short stacking energy: -14.986
Base-Backbone interact. energy: -0.086
local terms energy: -17.913913
where:
bonds (distance) C4'-P energy: -5.471
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: 0.136
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -42.525345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.525345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.525345 (E_RNA)
where:
Base-Base interactions energy: -17.821
where: short stacking energy: -17.821
Base-Backbone interact. energy: -0.000
local terms energy: -24.704597
where:
bonds (distance) C4'-P energy: -3.798
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -3.858
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -38.397701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.397701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.397701 (E_RNA)
where:
Base-Base interactions energy: -18.726
where: short stacking energy: -17.648
Base-Backbone interact. energy: -0.028
local terms energy: -19.643910
where:
bonds (distance) C4'-P energy: -2.983
bonds (distance) P-C4' energy: -5.277
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -2.316
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -35.967595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.967595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.967595 (E_RNA)
where:
Base-Base interactions energy: -10.378
where: short stacking energy: -8.577
Base-Backbone interact. energy: -0.009
local terms energy: -25.580951
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -7.298
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -6.066
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: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -34.269274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.269274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.269274 (E_RNA)
where:
Base-Base interactions energy: -7.898
where: short stacking energy: -7.898
Base-Backbone interact. energy: -0.017
local terms energy: -26.354605
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -0.571
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 9696952
moves confirmed later: 12126627
all moves confirmed: 21823579
percent of confirmed moves: 2.727947
current total energy: -29.489192
recalc. total energy: -29.489192
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 9827303
moves confirmed later: 12326210
all moves confirmed: 22153513
percent of confirmed moves: 2.769189
current total energy: -30.788028
recalc. total energy: -30.788028
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 9721222
moves confirmed later: 12149099
all moves confirmed: 21870321
percent of confirmed moves: 2.733790
current total energy: -39.332258
recalc. total energy: -39.332258
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 9683703
moves confirmed later: 12099784
all moves confirmed: 21783487
percent of confirmed moves: 2.722936
current total energy: -32.254483
recalc. total energy: -32.254483
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 9745357
moves confirmed later: 12192898
all moves confirmed: 21938255
percent of confirmed moves: 2.742282
current total energy: -16.059893
recalc. total energy: -16.059893
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 9630393
moves confirmed later: 12023259
all moves confirmed: 21653652
percent of confirmed moves: 2.706707
current total energy: -33.060809
recalc. total energy: -33.060809
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 9789337
moves confirmed later: 12256891
all moves confirmed: 22046228
percent of confirmed moves: 2.755778
current total energy: -20.460307
recalc. total energy: -20.460307
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 9614054
moves confirmed later: 11992581
all moves confirmed: 21606635
percent of confirmed moves: 2.700829
current total energy: -23.196520
recalc. total energy: -23.196520
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 9638850
moves confirmed later: 12027538
all moves confirmed: 21666388
percent of confirmed moves: 2.708299
current total energy: -11.197903
recalc. total energy: -11.197903
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 9824961
moves confirmed later: 12326586
all moves confirmed: 22151547
percent of confirmed moves: 2.768943
current total energy: -2.675836
recalc. total energy: -2.675836
out arg RESULTS//1/polyA-7eb00c68_01
Time of doing 8000000 iterations: 607.094 seconds